USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) HEADER METALLOPROTEINASE INHIBITOR 10-JUN-98 1BHU TITLE THE 3D STRUCTURE OF THE STREPTOMYCES METALLOPROTEINASE TITLE 2 INHIBITOR, SMPI, ISOLATED FROM STREPTOMYCES NIGRESCENS TK- TITLE 3 23, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: METALLOPROTEINASE INHIBITOR; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SMPI; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES NIGRESCENS; SOURCE 3 ORGANISM_TAXID: 1920; SOURCE 4 STRAIN: TK-23; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS METALLOPROTEINASE INHIBITOR, SIGNAL EXPDTA SOLUTION NMR AUTHOR S.TATE,A.OHNO,S.S.SEERAM,K.HIRAGA,K.ODA,M.KAINOSHO REVDAT 3 24-FEB-09 1BHU 1 VERSN REVDAT 2 16-FEB-99 1BHU 1 SOURCE COMPND REMARK TITLE REVDAT 2 2 1 JRNL EXPDTA KEYWDS SHEET REVDAT 1 06-JAN-99 1BHU 0 JRNL AUTH A.OHNO,S.TATE,S.S.SEERAM,K.HIRAGA,M.B.SWINDELLS, JRNL AUTH 2 K.ODA,M.KAINOSHO JRNL TITL NMR STRUCTURE OF THE STREPTOMYCES JRNL TITL 2 METALLOPROTEINASE INHIBITOR, SMPI, ISOLATED FROM JRNL TITL 3 STREPTOMYCES NIGRESCENS TK-23: ANOTHER EXAMPLE OF JRNL TITL 4 AN ANCESTRAL BETA GAMMA-CRYSTALLIN PRECURSOR JRNL TITL 5 STRUCTURE. JRNL REF J.MOL.BIOL. V. 282 421 1998 JRNL REFN ISSN 0022-2836 JRNL PMID 9735297 JRNL DOI 10.1006/JMBI.1998.2022 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.TATE,A.OHNO,S.S.SEERAM,K.HIRAGA,K.ODA,M.KAINOSHO REMARK 1 TITL ELUCIDATION OF THE MODE OF INTERACTION OF REMARK 1 TITL 2 THERMOLYSIN WITH A PROTEINACEOUS METALLOPROTEINASE REMARK 1 TITL 3 INHIBITOR, SMPI, BASED ON A MODEL COMPLEX REMARK 1 TITL 4 STRUCTURE AND A STRUCTURAL DYNAMICS ANALYSIS REMARK 1 REF J.MOL.BIOL. V. 282 435 1998 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1BHU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 3.3 REMARK 210 IONIC STRENGTH : NO SALT REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : WATER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HETERONUCLEAR MULTI- REMARK 210 DIMENSIONAL EXPERIMENT REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.8 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 60 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETEMINED ON THE BASIS OF THE HETERO- REMARK 210 NUCLEAR MUTLIDIMENSIONAL NMR TECHNIQUES USING 13C, 15N REMARK 210 ENRICHED PROTEINS. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PRO A 5 -111.08 -81.28 REMARK 500 ALA A 6 139.10 -176.64 REMARK 500 SER A 13 66.97 -112.52 REMARK 500 THR A 15 104.98 39.70 REMARK 500 SER A 18 -155.01 -98.65 REMARK 500 ALA A 26 68.92 35.10 REMARK 500 SER A 27 -52.93 -164.00 REMARK 500 ASP A 35 48.40 32.77 REMARK 500 VAL A 37 -158.28 -162.55 REMARK 500 PRO A 40 -166.37 -71.97 REMARK 500 ALA A 41 -42.10 -148.59 REMARK 500 SER A 42 102.81 -54.56 REMARK 500 ARG A 44 59.22 -177.99 REMARK 500 SER A 45 -145.57 -116.08 REMARK 500 PHE A 46 173.84 171.47 REMARK 500 THR A 50 -168.40 174.14 REMARK 500 HIS A 51 30.07 -99.35 REMARK 500 PHE A 52 62.58 -16.94 REMARK 500 THR A 53 82.73 -18.65 REMARK 500 ARG A 60 39.33 -147.73 REMARK 500 ARG A 66 32.45 -165.75 REMARK 500 PHE A 67 -44.90 113.28 REMARK 500 PRO A 68 58.03 -67.46 REMARK 500 GLN A 71 25.30 34.30 REMARK 500 TYR A 72 -161.33 -169.24 REMARK 500 ALA A 73 21.85 -141.29 REMARK 500 THR A 74 114.55 61.92 REMARK 500 ALA A 79 -77.91 -50.82 REMARK 500 GLN A 83 -66.49 169.62 REMARK 500 ARG A 85 41.48 -77.71 REMARK 500 SER A 86 81.41 -164.57 REMARK 500 PRO A 90 -157.75 -100.33 REMARK 500 ALA A 92 100.28 77.92 REMARK 500 THR A 93 19.89 51.08 REMARK 500 LEU A 100 50.08 -119.88 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 21 0.30 SIDE_CHAIN REMARK 500 ARG A 44 0.30 SIDE_CHAIN REMARK 500 ARG A 55 0.31 SIDE_CHAIN REMARK 500 ARG A 60 0.32 SIDE_CHAIN REMARK 500 ARG A 66 0.32 SIDE_CHAIN REMARK 500 ARG A 85 0.30 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1BHU A 1 102 UNP P01077 IMEP_STRNI 30 131 SEQRES 1 A 102 ALA PRO SER CYS PRO ALA GLY SER LEU CYS THR TYR SER SEQRES 2 A 102 GLY THR GLY LEU SER GLY ALA ARG THR VAL ILE PRO ALA SEQRES 3 A 102 SER ASP MET GLU LYS ALA GLY THR ASP GLY VAL LYS LEU SEQRES 4 A 102 PRO ALA SER ALA ARG SER PHE ALA ASN GLY THR HIS PHE SEQRES 5 A 102 THR LEU ARG TYR GLY PRO ALA ARG LYS VAL THR CYS VAL SEQRES 6 A 102 ARG PHE PRO CYS TYR GLN TYR ALA THR VAL GLY LYS VAL SEQRES 7 A 102 ALA PRO GLY ALA GLN LEU ARG SER LEU PRO SER PRO GLY SEQRES 8 A 102 ALA THR VAL THR VAL GLY GLN ASP LEU GLY ASP HELIX 1 H1 ALA A 26 ALA A 32 1 7 SHEET 1 S1 4 ALA A 20 ILE A 24 0 SHEET 2 S1 4 LEU A 9 SER A 13 -1 O THR A 11 N THR A 22 SHEET 3 S1 4 SER A 45 GLY A 49 -1 O SER A 45 N TYR A 12 SHEET 4 S1 4 SER A 86 SER A 89 -1 N LEU A 87 O ASN A 48 SHEET 1 S2 4 THR A 34 LEU A 39 0 SHEET 2 S2 4 VAL A 94 ASP A 99 -1 N VAL A 96 O VAL A 37 SHEET 3 S2 4 THR A 53 GLY A 57 -1 N THR A 53 O ASP A 99 SHEET 4 S2 4 LYS A 77 ALA A 79 -1 O VAL A 78 N LEU A 54 SHEET 1 S3 2 ALA A 59 ARG A 60 0 SHEET 2 S3 2 GLN A 71 TYR A 72 -1 O GLN A 71 N ARG A 60 SSBOND *** CYS A 4 CYS A 10 1555 1555 2.48 SSBOND *** CYS A 64 CYS A 69 1555 1555 2.53 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 ASN : amide:sc= -0.722 K(o=0.38,f=-1.5!) USER MOD Set 1.2: A 89 SER OG : rot -170:sc= 1.1 USER MOD Set 2.1: A 64 CYS SG : rot -108:sc= -7.64! USER MOD Set 2.2: A 69 CYS SG : rot -138:sc= -7.4! USER MOD Set 3.1: A 51 HIS :FLIP no HE2:sc= -0.985 F(o=-1.5!,f=0.14) USER MOD Set 3.2: A 53 THR OG1 : rot 127:sc= 1.12 USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0.945 USER MOD Set 4.2: A 22 THR OG1 : rot 89:sc= 0.756 USER MOD Set 5.1: A 4 CYS SG : rot -134:sc= -29.6! USER MOD Set 5.2: A 10 CYS SG : rot 106:sc= -25.1! USER MOD Set 6.1: A 1 ALA N :NH3+ 168:sc= -1.8! (180deg=-1.8!) USER MOD Set 6.2: A 45 SER OG : rot -68:sc= 1.1 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 12:sc= -1.71! USER MOD Single : A 12 TYR OH : rot 153:sc= -2.02! USER MOD Single : A 13 SER OG : rot 62:sc= 1.13 USER MOD Single : A 15 THR OG1 : rot 41:sc= 0.0948 USER MOD Single : A 18 SER OG : rot 180:sc= 0.473 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -109:sc= -1.96 (180deg=-4.66!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -3.25! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 49:sc= 0.215 USER MOD Single : A 50 THR OG1 : rot -150:sc= -0.606 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -61:sc= 0.0713 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.58 X(o=-1.6,f=-2.1!) USER MOD Single : A 72 TYR OH : rot 19:sc= -1.63! USER MOD Single : A 74 THR OG1 : rot -12:sc= 1.49 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00557 X(o=-0.0056,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -14:sc= 0.838 USER MOD Single : A 98 GLN : amide:sc= -9.41! C(o=-9.4!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 69.007 -9.608 -2.085 1.00 4.13 N ATOM 2 CA ALA A 1 68.151 -10.064 -3.224 1.00 3.07 C ATOM 3 C ALA A 1 67.405 -8.874 -3.859 1.00 2.44 C ATOM 4 O ALA A 1 66.667 -8.180 -3.184 1.00 2.52 O ATOM 5 CB ALA A 1 67.158 -11.053 -2.598 1.00 3.21 C ATOM 0 H1 ALA A 1 69.338 -10.434 -1.547 1.00 4.13 H new ATOM 0 H2 ALA A 1 69.826 -9.084 -2.454 1.00 4.13 H new ATOM 0 H3 ALA A 1 68.453 -8.988 -1.461 1.00 4.13 H new ATOM 0 HA ALA A 1 68.739 -10.519 -4.021 1.00 3.07 H new ATOM 0 HB1 ALA A 1 66.490 -11.436 -3.370 1.00 3.21 H new ATOM 0 HB2 ALA A 1 67.705 -11.881 -2.147 1.00 3.21 H new ATOM 0 HB3 ALA A 1 66.573 -10.545 -1.832 1.00 3.21 H new ATOM 13 N PRO A 2 67.616 -8.689 -5.146 1.00 2.06 N ATOM 14 CA PRO A 2 66.945 -7.580 -5.890 1.00 2.08 C ATOM 15 C PRO A 2 65.441 -7.866 -6.051 1.00 1.33 C ATOM 16 O PRO A 2 64.956 -8.098 -7.141 1.00 1.55 O ATOM 17 CB PRO A 2 67.649 -7.586 -7.247 1.00 2.48 C ATOM 18 CG PRO A 2 68.180 -8.972 -7.406 1.00 1.94 C ATOM 19 CD PRO A 2 68.491 -9.482 -6.025 1.00 1.99 C ATOM 0 HA PRO A 2 67.015 -6.619 -5.380 1.00 2.08 H new ATOM 0 HB2 PRO A 2 66.957 -7.335 -8.051 1.00 2.48 H new ATOM 0 HB3 PRO A 2 68.453 -6.850 -7.277 1.00 2.48 H new ATOM 0 HG2 PRO A 2 67.448 -9.612 -7.898 1.00 1.94 H new ATOM 0 HG3 PRO A 2 69.075 -8.974 -8.029 1.00 1.94 H new ATOM 0 HD2 PRO A 2 68.284 -10.548 -5.937 1.00 1.99 H new ATOM 0 HD3 PRO A 2 69.542 -9.340 -5.775 1.00 1.99 H new ATOM 27 N SER A 3 64.703 -7.864 -4.974 1.00 0.95 N ATOM 28 CA SER A 3 63.238 -8.153 -5.074 1.00 0.80 C ATOM 29 C SER A 3 62.391 -6.873 -4.979 1.00 0.57 C ATOM 30 O SER A 3 61.205 -6.904 -5.244 1.00 0.55 O ATOM 31 CB SER A 3 62.948 -9.089 -3.902 1.00 1.21 C ATOM 32 OG SER A 3 63.532 -10.361 -4.166 1.00 1.91 O ATOM 0 H SER A 3 65.046 -7.676 -4.032 1.00 0.95 H new ATOM 0 HA SER A 3 62.982 -8.596 -6.036 1.00 0.80 H new ATOM 0 HB2 SER A 3 63.353 -8.673 -2.980 1.00 1.21 H new ATOM 0 HB3 SER A 3 61.872 -9.191 -3.760 1.00 1.21 H new ATOM 0 HG SER A 3 63.351 -10.966 -3.417 1.00 1.91 H new ATOM 38 N CYS A 4 62.974 -5.751 -4.612 1.00 0.49 N ATOM 39 CA CYS A 4 62.167 -4.488 -4.523 1.00 0.35 C ATOM 40 C CYS A 4 61.658 -4.081 -5.928 1.00 0.61 C ATOM 41 O CYS A 4 62.129 -4.596 -6.920 1.00 1.21 O ATOM 42 CB CYS A 4 63.123 -3.423 -3.988 1.00 0.47 C ATOM 43 SG CYS A 4 62.316 -2.537 -2.637 1.00 0.31 S ATOM 0 H CYS A 4 63.961 -5.656 -4.373 1.00 0.49 H new ATOM 0 HA CYS A 4 61.296 -4.612 -3.880 1.00 0.35 H new ATOM 0 HB2 CYS A 4 64.045 -3.886 -3.637 1.00 0.47 H new ATOM 0 HB3 CYS A 4 63.397 -2.729 -4.783 1.00 0.47 H new ATOM 0 HG CYS A 4 62.491 -1.258 -2.791 1.00 0.31 H new ATOM 48 N PRO A 5 60.723 -3.160 -5.977 1.00 0.33 N ATOM 49 CA PRO A 5 60.193 -2.694 -7.283 1.00 0.56 C ATOM 50 C PRO A 5 61.151 -1.636 -7.909 1.00 1.04 C ATOM 51 O PRO A 5 62.251 -1.968 -8.314 1.00 1.90 O ATOM 52 CB PRO A 5 58.823 -2.121 -6.910 1.00 0.46 C ATOM 53 CG PRO A 5 58.931 -1.721 -5.469 1.00 0.81 C ATOM 54 CD PRO A 5 60.073 -2.491 -4.851 1.00 0.71 C ATOM 0 HA PRO A 5 60.112 -3.472 -8.042 1.00 0.56 H new ATOM 0 HB2 PRO A 5 58.573 -1.265 -7.537 1.00 0.46 H new ATOM 0 HB3 PRO A 5 58.036 -2.862 -7.053 1.00 0.46 H new ATOM 0 HG2 PRO A 5 59.106 -0.648 -5.384 1.00 0.81 H new ATOM 0 HG3 PRO A 5 58.000 -1.935 -4.944 1.00 0.81 H new ATOM 0 HD2 PRO A 5 60.764 -1.826 -4.333 1.00 0.71 H new ATOM 0 HD3 PRO A 5 59.713 -3.212 -4.117 1.00 0.71 H new ATOM 62 N ALA A 6 60.752 -0.378 -7.995 1.00 0.73 N ATOM 63 CA ALA A 6 61.641 0.680 -8.593 1.00 1.40 C ATOM 64 C ALA A 6 60.966 2.062 -8.492 1.00 0.92 C ATOM 65 O ALA A 6 59.777 2.191 -8.713 1.00 1.14 O ATOM 66 CB ALA A 6 61.812 0.282 -10.064 1.00 2.30 C ATOM 0 H ALA A 6 59.844 -0.040 -7.674 1.00 0.73 H new ATOM 0 HA ALA A 6 62.598 0.748 -8.075 1.00 1.40 H new ATOM 0 HB1 ALA A 6 62.450 1.009 -10.566 1.00 2.30 H new ATOM 0 HB2 ALA A 6 62.271 -0.705 -10.123 1.00 2.30 H new ATOM 0 HB3 ALA A 6 60.837 0.258 -10.550 1.00 2.30 H new ATOM 72 N GLY A 7 61.714 3.094 -8.166 1.00 0.44 N ATOM 73 CA GLY A 7 61.103 4.471 -8.064 1.00 0.25 C ATOM 74 C GLY A 7 61.783 5.308 -6.961 1.00 0.23 C ATOM 75 O GLY A 7 62.010 6.492 -7.115 1.00 0.30 O ATOM 0 H GLY A 7 62.713 3.048 -7.967 1.00 0.44 H new ATOM 0 HA2 GLY A 7 61.196 4.984 -9.021 1.00 0.25 H new ATOM 0 HA3 GLY A 7 60.038 4.383 -7.851 1.00 0.25 H new ATOM 79 N SER A 8 62.101 4.687 -5.859 1.00 0.22 N ATOM 80 CA SER A 8 62.781 5.372 -4.698 1.00 0.23 C ATOM 81 C SER A 8 63.577 4.304 -3.972 1.00 0.24 C ATOM 82 O SER A 8 63.441 3.135 -4.273 1.00 0.29 O ATOM 83 CB SER A 8 61.660 5.877 -3.802 1.00 0.27 C ATOM 84 OG SER A 8 61.065 7.043 -4.368 1.00 0.33 O ATOM 0 H SER A 8 61.915 3.697 -5.701 1.00 0.22 H new ATOM 0 HA SER A 8 63.438 6.190 -4.994 1.00 0.23 H new ATOM 0 HB2 SER A 8 60.906 5.100 -3.677 1.00 0.27 H new ATOM 0 HB3 SER A 8 62.051 6.104 -2.810 1.00 0.27 H new ATOM 0 HG SER A 8 61.375 7.153 -5.291 1.00 0.33 H new ATOM 90 N LEU A 9 64.380 4.658 -3.018 1.00 0.22 N ATOM 91 CA LEU A 9 65.149 3.603 -2.300 1.00 0.24 C ATOM 92 C LEU A 9 64.207 2.884 -1.321 1.00 0.25 C ATOM 93 O LEU A 9 64.248 3.106 -0.124 1.00 0.33 O ATOM 94 CB LEU A 9 66.271 4.334 -1.574 1.00 0.27 C ATOM 95 CG LEU A 9 67.290 3.316 -1.053 1.00 0.42 C ATOM 96 CD1 LEU A 9 68.649 3.576 -1.697 1.00 0.68 C ATOM 97 CD2 LEU A 9 67.421 3.451 0.461 1.00 0.58 C ATOM 0 H LEU A 9 64.540 5.615 -2.704 1.00 0.22 H new ATOM 0 HA LEU A 9 65.562 2.845 -2.965 1.00 0.24 H new ATOM 0 HB2 LEU A 9 66.757 5.038 -2.249 1.00 0.27 H new ATOM 0 HB3 LEU A 9 65.865 4.915 -0.746 1.00 0.27 H new ATOM 0 HG LEU A 9 66.951 2.311 -1.304 1.00 0.42 H new ATOM 0 HD11 LEU A 9 69.373 2.851 -1.325 1.00 0.68 H new ATOM 0 HD12 LEU A 9 68.563 3.480 -2.779 1.00 0.68 H new ATOM 0 HD13 LEU A 9 68.983 4.583 -1.447 1.00 0.68 H new ATOM 0 HD21 LEU A 9 68.146 2.726 0.830 1.00 0.58 H new ATOM 0 HD22 LEU A 9 67.757 4.458 0.709 1.00 0.58 H new ATOM 0 HD23 LEU A 9 66.454 3.266 0.928 1.00 0.58 H new ATOM 109 N CYS A 10 63.327 2.045 -1.820 1.00 0.20 N ATOM 110 CA CYS A 10 62.367 1.351 -0.890 1.00 0.23 C ATOM 111 C CYS A 10 63.036 0.188 -0.182 1.00 0.23 C ATOM 112 O CYS A 10 63.065 -0.910 -0.674 1.00 0.25 O ATOM 113 CB CYS A 10 61.155 0.877 -1.718 1.00 0.26 C ATOM 114 SG CYS A 10 61.665 -0.186 -3.074 1.00 0.28 S ATOM 0 H CYS A 10 63.230 1.812 -2.808 1.00 0.20 H new ATOM 0 HA CYS A 10 62.037 2.042 -0.115 1.00 0.23 H new ATOM 0 HB2 CYS A 10 60.460 0.339 -1.073 1.00 0.26 H new ATOM 0 HB3 CYS A 10 60.621 1.742 -2.112 1.00 0.26 H new ATOM 0 HG CYS A 10 61.356 -1.419 -2.799 1.00 0.28 H new ATOM 119 N THR A 11 63.559 0.428 0.989 1.00 0.27 N ATOM 120 CA THR A 11 64.220 -0.676 1.762 1.00 0.31 C ATOM 121 C THR A 11 63.156 -1.570 2.406 1.00 0.37 C ATOM 122 O THR A 11 62.066 -1.123 2.706 1.00 0.41 O ATOM 123 CB THR A 11 65.089 0.010 2.827 1.00 0.38 C ATOM 124 OG1 THR A 11 64.264 0.559 3.847 1.00 0.51 O ATOM 125 CG2 THR A 11 65.916 1.133 2.196 1.00 0.41 C ATOM 0 H THR A 11 63.560 1.339 1.449 1.00 0.27 H new ATOM 0 HA THR A 11 64.828 -1.315 1.122 1.00 0.31 H new ATOM 0 HB THR A 11 65.759 -0.735 3.257 1.00 0.38 H new ATOM 0 HG1 THR A 11 64.825 0.993 4.523 1.00 0.51 H new ATOM 0 HG21 THR A 11 66.527 1.610 2.963 1.00 0.41 H new ATOM 0 HG22 THR A 11 66.563 0.718 1.423 1.00 0.41 H new ATOM 0 HG23 THR A 11 65.248 1.872 1.753 1.00 0.41 H new ATOM 133 N TYR A 12 63.438 -2.837 2.598 1.00 0.39 N ATOM 134 CA TYR A 12 62.399 -3.731 3.199 1.00 0.47 C ATOM 135 C TYR A 12 63.000 -5.001 3.796 1.00 0.49 C ATOM 136 O TYR A 12 64.039 -5.477 3.366 1.00 0.49 O ATOM 137 CB TYR A 12 61.490 -4.105 2.034 1.00 0.47 C ATOM 138 CG TYR A 12 62.301 -4.785 0.955 1.00 0.42 C ATOM 139 CD1 TYR A 12 62.894 -4.022 -0.052 1.00 1.28 C ATOM 140 CD2 TYR A 12 62.447 -6.171 0.961 1.00 1.27 C ATOM 141 CE1 TYR A 12 63.634 -4.648 -1.059 1.00 1.29 C ATOM 142 CE2 TYR A 12 63.184 -6.797 -0.046 1.00 1.26 C ATOM 143 CZ TYR A 12 63.778 -6.040 -1.058 1.00 0.41 C ATOM 144 OH TYR A 12 64.493 -6.667 -2.061 1.00 0.44 O ATOM 0 H TYR A 12 64.326 -3.284 2.369 1.00 0.39 H new ATOM 0 HA TYR A 12 61.882 -3.226 4.015 1.00 0.47 H new ATOM 0 HB2 TYR A 12 60.696 -4.768 2.378 1.00 0.47 H new ATOM 0 HB3 TYR A 12 61.010 -3.212 1.634 1.00 0.47 H new ATOM 0 HD1 TYR A 12 62.781 -2.948 -0.053 1.00 1.28 H new ATOM 0 HD2 TYR A 12 61.991 -6.760 1.743 1.00 1.27 H new ATOM 0 HE1 TYR A 12 64.094 -4.058 -1.837 1.00 1.29 H new ATOM 0 HE2 TYR A 12 63.295 -7.871 -0.042 1.00 1.26 H new ATOM 0 HH TYR A 12 64.868 -7.506 -1.720 1.00 0.44 H new ATOM 154 N SER A 13 62.328 -5.571 4.763 1.00 0.52 N ATOM 155 CA SER A 13 62.818 -6.826 5.378 1.00 0.54 C ATOM 156 C SER A 13 61.866 -7.987 5.040 1.00 0.55 C ATOM 157 O SER A 13 61.196 -8.527 5.903 1.00 0.57 O ATOM 158 CB SER A 13 62.866 -6.532 6.884 1.00 0.58 C ATOM 159 OG SER A 13 61.621 -6.854 7.500 1.00 0.82 O ATOM 0 H SER A 13 61.455 -5.213 5.151 1.00 0.52 H new ATOM 0 HA SER A 13 63.798 -7.130 5.009 1.00 0.54 H new ATOM 0 HB2 SER A 13 63.667 -7.109 7.347 1.00 0.58 H new ATOM 0 HB3 SER A 13 63.097 -5.479 7.047 1.00 0.58 H new ATOM 0 HG SER A 13 61.443 -7.812 7.397 1.00 0.82 H new ATOM 165 N GLY A 14 61.795 -8.372 3.785 1.00 0.55 N ATOM 166 CA GLY A 14 60.880 -9.502 3.409 1.00 0.58 C ATOM 167 C GLY A 14 60.882 -9.785 1.895 1.00 0.62 C ATOM 168 O GLY A 14 59.879 -10.204 1.364 1.00 0.89 O ATOM 0 H GLY A 14 62.322 -7.960 3.015 1.00 0.55 H new ATOM 0 HA2 GLY A 14 61.182 -10.403 3.944 1.00 0.58 H new ATOM 0 HA3 GLY A 14 59.865 -9.266 3.730 1.00 0.58 H new ATOM 172 N THR A 15 61.998 -9.581 1.215 1.00 0.55 N ATOM 173 CA THR A 15 62.100 -9.853 -0.285 1.00 0.59 C ATOM 174 C THR A 15 60.847 -9.437 -1.072 1.00 0.60 C ATOM 175 O THR A 15 59.827 -10.097 -1.058 1.00 0.65 O ATOM 176 CB THR A 15 62.346 -11.364 -0.444 1.00 0.71 C ATOM 177 OG1 THR A 15 61.526 -12.101 0.454 1.00 0.79 O ATOM 178 CG2 THR A 15 63.815 -11.673 -0.160 1.00 1.15 C ATOM 0 H THR A 15 62.860 -9.232 1.635 1.00 0.55 H new ATOM 0 HA THR A 15 62.912 -9.254 -0.697 1.00 0.59 H new ATOM 0 HB THR A 15 62.097 -11.654 -1.465 1.00 0.71 H new ATOM 0 HG1 THR A 15 60.633 -11.699 0.486 1.00 0.79 H new ATOM 0 HG21 THR A 15 63.990 -12.743 -0.272 1.00 1.15 H new ATOM 0 HG22 THR A 15 64.444 -11.127 -0.863 1.00 1.15 H new ATOM 0 HG23 THR A 15 64.060 -11.370 0.858 1.00 1.15 H new ATOM 186 N GLY A 16 60.942 -8.345 -1.783 1.00 0.61 N ATOM 187 CA GLY A 16 59.788 -7.851 -2.591 1.00 0.66 C ATOM 188 C GLY A 16 59.314 -6.533 -1.987 1.00 0.60 C ATOM 189 O GLY A 16 58.152 -6.194 -2.061 1.00 0.66 O ATOM 0 H GLY A 16 61.781 -7.767 -1.839 1.00 0.61 H new ATOM 0 HA2 GLY A 16 60.085 -7.708 -3.630 1.00 0.66 H new ATOM 0 HA3 GLY A 16 58.980 -8.583 -2.588 1.00 0.66 H new ATOM 193 N LEU A 17 60.213 -5.802 -1.354 1.00 0.54 N ATOM 194 CA LEU A 17 59.825 -4.510 -0.700 1.00 0.51 C ATOM 195 C LEU A 17 58.725 -4.780 0.355 1.00 0.55 C ATOM 196 O LEU A 17 57.999 -3.903 0.780 1.00 0.57 O ATOM 197 CB LEU A 17 59.407 -3.601 -1.874 1.00 0.55 C ATOM 198 CG LEU A 17 58.218 -2.694 -1.527 1.00 0.64 C ATOM 199 CD1 LEU A 17 58.290 -1.421 -2.364 1.00 1.10 C ATOM 200 CD2 LEU A 17 56.906 -3.422 -1.826 1.00 1.30 C ATOM 0 H LEU A 17 61.199 -6.049 -1.265 1.00 0.54 H new ATOM 0 HA LEU A 17 60.618 -4.020 -0.134 1.00 0.51 H new ATOM 0 HB2 LEU A 17 60.255 -2.984 -2.170 1.00 0.55 H new ATOM 0 HB3 LEU A 17 59.148 -4.220 -2.733 1.00 0.55 H new ATOM 0 HG LEU A 17 58.257 -2.441 -0.468 1.00 0.64 H new ATOM 0 HD11 LEU A 17 57.446 -0.776 -2.119 1.00 1.10 H new ATOM 0 HD12 LEU A 17 59.222 -0.897 -2.150 1.00 1.10 H new ATOM 0 HD13 LEU A 17 58.254 -1.679 -3.422 1.00 1.10 H new ATOM 0 HD21 LEU A 17 56.066 -2.774 -1.578 1.00 1.30 H new ATOM 0 HD22 LEU A 17 56.866 -3.679 -2.884 1.00 1.30 H new ATOM 0 HD23 LEU A 17 56.851 -4.332 -1.229 1.00 1.30 H new ATOM 212 N SER A 18 58.634 -6.010 0.805 1.00 0.59 N ATOM 213 CA SER A 18 57.616 -6.375 1.846 1.00 0.67 C ATOM 214 C SER A 18 58.245 -6.410 3.254 1.00 0.68 C ATOM 215 O SER A 18 59.234 -5.751 3.517 1.00 1.03 O ATOM 216 CB SER A 18 57.117 -7.760 1.447 1.00 0.75 C ATOM 217 OG SER A 18 56.092 -8.162 2.351 1.00 1.43 O ATOM 0 H SER A 18 59.224 -6.782 0.495 1.00 0.59 H new ATOM 0 HA SER A 18 56.809 -5.644 1.891 1.00 0.67 H new ATOM 0 HB2 SER A 18 56.734 -7.743 0.427 1.00 0.75 H new ATOM 0 HB3 SER A 18 57.938 -8.476 1.467 1.00 0.75 H new ATOM 0 HG SER A 18 55.765 -9.051 2.100 1.00 1.43 H new ATOM 223 N GLY A 19 57.664 -7.169 4.163 1.00 0.60 N ATOM 224 CA GLY A 19 58.206 -7.246 5.564 1.00 0.58 C ATOM 225 C GLY A 19 58.390 -5.826 6.108 1.00 0.51 C ATOM 226 O GLY A 19 57.514 -4.989 5.974 1.00 0.51 O ATOM 0 H GLY A 19 56.836 -7.739 3.993 1.00 0.60 H new ATOM 0 HA2 GLY A 19 57.523 -7.807 6.201 1.00 0.58 H new ATOM 0 HA3 GLY A 19 59.158 -7.778 5.571 1.00 0.58 H new ATOM 230 N ALA A 20 59.525 -5.526 6.691 1.00 0.50 N ATOM 231 CA ALA A 20 59.747 -4.129 7.197 1.00 0.50 C ATOM 232 C ALA A 20 59.994 -3.209 5.992 1.00 0.46 C ATOM 233 O ALA A 20 61.101 -2.780 5.736 1.00 0.47 O ATOM 234 CB ALA A 20 60.984 -4.204 8.098 1.00 0.58 C ATOM 0 H ALA A 20 60.298 -6.174 6.838 1.00 0.50 H new ATOM 0 HA ALA A 20 58.895 -3.734 7.751 1.00 0.50 H new ATOM 0 HB1 ALA A 20 61.201 -3.215 8.501 1.00 0.58 H new ATOM 0 HB2 ALA A 20 60.795 -4.896 8.918 1.00 0.58 H new ATOM 0 HB3 ALA A 20 61.837 -4.554 7.517 1.00 0.58 H new ATOM 240 N ARG A 21 58.963 -2.952 5.227 1.00 0.47 N ATOM 241 CA ARG A 21 59.109 -2.112 3.996 1.00 0.48 C ATOM 242 C ARG A 21 59.162 -0.601 4.299 1.00 0.44 C ATOM 243 O ARG A 21 58.273 -0.032 4.904 1.00 0.48 O ATOM 244 CB ARG A 21 57.888 -2.464 3.133 1.00 0.63 C ATOM 245 CG ARG A 21 56.588 -2.054 3.835 1.00 0.70 C ATOM 246 CD ARG A 21 55.882 -0.987 2.995 1.00 1.10 C ATOM 247 NE ARG A 21 54.917 -0.329 3.927 1.00 1.46 N ATOM 248 CZ ARG A 21 53.823 0.200 3.467 1.00 2.09 C ATOM 249 NH1 ARG A 21 53.874 1.325 2.825 1.00 2.77 N ATOM 250 NH2 ARG A 21 52.688 -0.399 3.653 1.00 2.75 N ATOM 0 H ARG A 21 58.017 -3.291 5.403 1.00 0.47 H new ATOM 0 HA ARG A 21 60.053 -2.321 3.493 1.00 0.48 H new ATOM 0 HB2 ARG A 21 57.961 -1.960 2.169 1.00 0.63 H new ATOM 0 HB3 ARG A 21 57.876 -3.535 2.932 1.00 0.63 H new ATOM 0 HG2 ARG A 21 55.940 -2.921 3.964 1.00 0.70 H new ATOM 0 HG3 ARG A 21 56.804 -1.667 4.831 1.00 0.70 H new ATOM 0 HD2 ARG A 21 56.595 -0.267 2.593 1.00 1.10 H new ATOM 0 HD3 ARG A 21 55.366 -1.433 2.145 1.00 1.10 H new ATOM 0 HE ARG A 21 55.118 -0.295 4.927 1.00 1.46 H new ATOM 0 HH11 ARG A 21 54.770 1.791 2.683 1.00 2.77 H new ATOM 0 HH12 ARG A 21 53.018 1.744 2.462 1.00 2.77 H new ATOM 0 HH21 ARG A 21 52.655 -1.284 4.160 1.00 2.75 H new ATOM 0 HH22 ARG A 21 51.828 0.015 3.293 1.00 2.75 H new ATOM 264 N THR A 22 60.209 0.040 3.848 1.00 0.42 N ATOM 265 CA THR A 22 60.386 1.516 4.046 1.00 0.45 C ATOM 266 C THR A 22 60.695 2.171 2.685 1.00 0.45 C ATOM 267 O THR A 22 60.995 1.491 1.720 1.00 0.45 O ATOM 268 CB THR A 22 61.576 1.667 5.012 1.00 0.49 C ATOM 269 OG1 THR A 22 62.280 0.433 5.127 1.00 0.53 O ATOM 270 CG2 THR A 22 61.063 2.075 6.391 1.00 0.66 C ATOM 0 H THR A 22 60.970 -0.407 3.337 1.00 0.42 H new ATOM 0 HA THR A 22 59.495 1.997 4.450 1.00 0.45 H new ATOM 0 HB THR A 22 62.249 2.430 4.621 1.00 0.49 H new ATOM 0 HG1 THR A 22 62.974 0.387 4.437 1.00 0.53 H new ATOM 0 HG21 THR A 22 61.905 2.182 7.075 1.00 0.66 H new ATOM 0 HG22 THR A 22 60.533 3.025 6.316 1.00 0.66 H new ATOM 0 HG23 THR A 22 60.384 1.310 6.768 1.00 0.66 H new ATOM 278 N VAL A 23 60.607 3.478 2.576 1.00 0.47 N ATOM 279 CA VAL A 23 60.876 4.134 1.249 1.00 0.49 C ATOM 280 C VAL A 23 61.790 5.335 1.375 1.00 0.47 C ATOM 281 O VAL A 23 61.554 6.210 2.187 1.00 0.59 O ATOM 282 CB VAL A 23 59.546 4.692 0.759 1.00 0.54 C ATOM 283 CG1 VAL A 23 59.443 4.517 -0.757 1.00 0.60 C ATOM 284 CG2 VAL A 23 58.358 3.998 1.434 1.00 0.60 C ATOM 0 H VAL A 23 60.364 4.113 3.336 1.00 0.47 H new ATOM 0 HA VAL A 23 61.334 3.395 0.592 1.00 0.49 H new ATOM 0 HB VAL A 23 59.511 5.750 1.019 1.00 0.54 H new ATOM 0 HG11 VAL A 23 58.491 4.917 -1.106 1.00 0.60 H new ATOM 0 HG12 VAL A 23 60.260 5.052 -1.241 1.00 0.60 H new ATOM 0 HG13 VAL A 23 59.505 3.458 -1.006 1.00 0.60 H new ATOM 0 HG21 VAL A 23 57.427 4.423 1.059 1.00 0.60 H new ATOM 0 HG22 VAL A 23 58.385 2.931 1.212 1.00 0.60 H new ATOM 0 HG23 VAL A 23 58.415 4.145 2.512 1.00 0.60 H new ATOM 294 N ILE A 24 62.776 5.438 0.530 1.00 0.36 N ATOM 295 CA ILE A 24 63.624 6.651 0.579 1.00 0.37 C ATOM 296 C ILE A 24 63.833 7.215 -0.839 1.00 0.31 C ATOM 297 O ILE A 24 64.784 6.864 -1.516 1.00 0.32 O ATOM 298 CB ILE A 24 64.979 6.259 1.206 1.00 0.39 C ATOM 299 CG1 ILE A 24 64.793 5.247 2.349 1.00 0.58 C ATOM 300 CG2 ILE A 24 65.647 7.512 1.755 1.00 0.60 C ATOM 301 CD1 ILE A 24 63.979 5.876 3.484 1.00 1.18 C ATOM 0 H ILE A 24 63.026 4.748 -0.178 1.00 0.36 H new ATOM 0 HA ILE A 24 63.142 7.424 1.178 1.00 0.37 H new ATOM 0 HB ILE A 24 65.597 5.797 0.436 1.00 0.39 H new ATOM 0 HG12 ILE A 24 64.285 4.357 1.978 1.00 0.58 H new ATOM 0 HG13 ILE A 24 65.765 4.927 2.723 1.00 0.58 H new ATOM 0 HG21 ILE A 24 66.606 7.248 2.201 1.00 0.60 H new ATOM 0 HG22 ILE A 24 65.807 8.223 0.945 1.00 0.60 H new ATOM 0 HG23 ILE A 24 65.007 7.963 2.513 1.00 0.60 H new ATOM 0 HD11 ILE A 24 63.854 5.150 4.287 1.00 1.18 H new ATOM 0 HD12 ILE A 24 64.503 6.752 3.865 1.00 1.18 H new ATOM 0 HD13 ILE A 24 63.000 6.174 3.108 1.00 1.18 H new ATOM 313 N PRO A 25 62.943 8.093 -1.243 1.00 0.30 N ATOM 314 CA PRO A 25 63.058 8.730 -2.584 1.00 0.27 C ATOM 315 C PRO A 25 64.220 9.730 -2.536 1.00 0.23 C ATOM 316 O PRO A 25 64.007 10.925 -2.466 1.00 0.36 O ATOM 317 CB PRO A 25 61.720 9.449 -2.754 1.00 0.33 C ATOM 318 CG PRO A 25 61.242 9.700 -1.360 1.00 0.36 C ATOM 319 CD PRO A 25 61.763 8.573 -0.507 1.00 0.35 C ATOM 0 HA PRO A 25 63.253 8.037 -3.403 1.00 0.27 H new ATOM 0 HB2 PRO A 25 61.839 10.382 -3.305 1.00 0.33 H new ATOM 0 HB3 PRO A 25 61.010 8.838 -3.312 1.00 0.33 H new ATOM 0 HG2 PRO A 25 61.606 10.660 -0.995 1.00 0.36 H new ATOM 0 HG3 PRO A 25 60.153 9.738 -1.326 1.00 0.36 H new ATOM 0 HD2 PRO A 25 62.028 8.917 0.493 1.00 0.35 H new ATOM 0 HD3 PRO A 25 61.019 7.786 -0.386 1.00 0.35 H new ATOM 327 N ALA A 26 65.442 9.232 -2.532 1.00 0.19 N ATOM 328 CA ALA A 26 66.656 10.136 -2.436 1.00 0.25 C ATOM 329 C ALA A 26 66.331 11.347 -1.524 1.00 0.30 C ATOM 330 O ALA A 26 66.206 12.468 -1.984 1.00 0.37 O ATOM 331 CB ALA A 26 66.916 10.592 -3.875 1.00 0.29 C ATOM 0 H ALA A 26 65.656 8.236 -2.591 1.00 0.19 H new ATOM 0 HA ALA A 26 67.525 9.637 -2.007 1.00 0.25 H new ATOM 0 HB1 ALA A 26 67.782 11.253 -3.896 1.00 0.29 H new ATOM 0 HB2 ALA A 26 67.108 9.722 -4.503 1.00 0.29 H new ATOM 0 HB3 ALA A 26 66.043 11.126 -4.251 1.00 0.29 H new ATOM 337 N SER A 27 66.162 11.123 -0.238 1.00 0.32 N ATOM 338 CA SER A 27 65.803 12.262 0.688 1.00 0.39 C ATOM 339 C SER A 27 66.038 11.883 2.153 1.00 0.36 C ATOM 340 O SER A 27 66.768 12.550 2.859 1.00 0.33 O ATOM 341 CB SER A 27 64.317 12.532 0.420 1.00 0.52 C ATOM 342 OG SER A 27 63.800 13.413 1.413 1.00 1.37 O ATOM 0 H SER A 27 66.255 10.212 0.211 1.00 0.32 H new ATOM 0 HA SER A 27 66.420 13.143 0.507 1.00 0.39 H new ATOM 0 HB2 SER A 27 64.190 12.971 -0.570 1.00 0.52 H new ATOM 0 HB3 SER A 27 63.761 11.595 0.427 1.00 0.52 H new ATOM 0 HG SER A 27 62.851 13.584 1.237 1.00 1.37 H new ATOM 348 N ASP A 28 65.490 10.784 2.602 1.00 0.41 N ATOM 349 CA ASP A 28 65.757 10.341 3.988 1.00 0.43 C ATOM 350 C ASP A 28 67.223 9.890 4.020 1.00 0.39 C ATOM 351 O ASP A 28 67.913 9.970 5.018 1.00 0.43 O ATOM 352 CB ASP A 28 64.781 9.188 4.195 1.00 0.53 C ATOM 353 CG ASP A 28 63.467 9.696 4.793 1.00 0.61 C ATOM 354 OD1 ASP A 28 63.518 10.397 5.794 1.00 1.34 O ATOM 355 OD2 ASP A 28 62.429 9.369 4.239 1.00 1.13 O ATOM 0 H ASP A 28 64.870 10.179 2.063 1.00 0.41 H new ATOM 0 HA ASP A 28 65.622 11.091 4.767 1.00 0.43 H new ATOM 0 HB2 ASP A 28 64.587 8.694 3.243 1.00 0.53 H new ATOM 0 HB3 ASP A 28 65.224 8.443 4.856 1.00 0.53 H new ATOM 360 N MET A 29 67.696 9.486 2.867 1.00 0.35 N ATOM 361 CA MET A 29 69.102 9.085 2.673 1.00 0.33 C ATOM 362 C MET A 29 69.997 10.322 2.783 1.00 0.29 C ATOM 363 O MET A 29 71.135 10.233 3.159 1.00 0.32 O ATOM 364 CB MET A 29 69.085 8.535 1.260 1.00 0.33 C ATOM 365 CG MET A 29 69.569 7.077 1.292 1.00 0.47 C ATOM 366 SD MET A 29 68.234 6.020 1.905 1.00 1.18 S ATOM 367 CE MET A 29 68.894 5.716 3.561 1.00 1.46 C ATOM 0 H MET A 29 67.129 9.419 2.022 1.00 0.35 H new ATOM 0 HA MET A 29 69.482 8.368 3.401 1.00 0.33 H new ATOM 0 HB2 MET A 29 68.078 8.590 0.845 1.00 0.33 H new ATOM 0 HB3 MET A 29 69.729 9.133 0.614 1.00 0.33 H new ATOM 0 HG2 MET A 29 69.871 6.760 0.294 1.00 0.47 H new ATOM 0 HG3 MET A 29 70.445 6.986 1.934 1.00 0.47 H new ATOM 0 HE1 MET A 29 69.229 4.681 3.635 1.00 1.46 H new ATOM 0 HE2 MET A 29 69.735 6.384 3.746 1.00 1.46 H new ATOM 0 HE3 MET A 29 68.116 5.899 4.302 1.00 1.46 H new ATOM 377 N GLU A 30 69.450 11.479 2.512 1.00 0.27 N ATOM 378 CA GLU A 30 70.223 12.757 2.658 1.00 0.29 C ATOM 379 C GLU A 30 70.376 13.068 4.154 1.00 0.31 C ATOM 380 O GLU A 30 71.190 13.869 4.577 1.00 0.35 O ATOM 381 CB GLU A 30 69.391 13.825 1.909 1.00 0.31 C ATOM 382 CG GLU A 30 69.217 15.094 2.761 1.00 1.24 C ATOM 383 CD GLU A 30 68.159 16.009 2.133 1.00 1.57 C ATOM 384 OE1 GLU A 30 68.463 16.646 1.137 1.00 2.26 O ATOM 385 OE2 GLU A 30 67.064 16.065 2.668 1.00 1.93 O ATOM 0 H GLU A 30 68.489 11.598 2.192 1.00 0.27 H new ATOM 0 HA GLU A 30 71.230 12.713 2.243 1.00 0.29 H new ATOM 0 HB2 GLU A 30 69.882 14.079 0.970 1.00 0.31 H new ATOM 0 HB3 GLU A 30 68.413 13.416 1.657 1.00 0.31 H new ATOM 0 HG2 GLU A 30 68.920 14.823 3.774 1.00 1.24 H new ATOM 0 HG3 GLU A 30 70.167 15.623 2.838 1.00 1.24 H new ATOM 392 N LYS A 31 69.626 12.365 4.946 1.00 0.31 N ATOM 393 CA LYS A 31 69.710 12.499 6.426 1.00 0.36 C ATOM 394 C LYS A 31 70.776 11.512 6.896 1.00 0.39 C ATOM 395 O LYS A 31 71.532 11.774 7.814 1.00 0.43 O ATOM 396 CB LYS A 31 68.325 12.109 6.954 1.00 0.37 C ATOM 397 CG LYS A 31 67.771 13.219 7.853 1.00 0.78 C ATOM 398 CD LYS A 31 66.439 12.755 8.455 1.00 1.45 C ATOM 399 CE LYS A 31 66.036 13.673 9.617 1.00 2.13 C ATOM 400 NZ LYS A 31 65.159 14.719 9.008 1.00 3.03 N ATOM 0 H LYS A 31 68.939 11.684 4.623 1.00 0.31 H new ATOM 0 HA LYS A 31 69.974 13.499 6.771 1.00 0.36 H new ATOM 0 HB2 LYS A 31 67.646 11.933 6.120 1.00 0.37 H new ATOM 0 HB3 LYS A 31 68.390 11.176 7.514 1.00 0.37 H new ATOM 0 HG2 LYS A 31 68.482 13.451 8.646 1.00 0.78 H new ATOM 0 HG3 LYS A 31 67.626 14.133 7.277 1.00 0.78 H new ATOM 0 HD2 LYS A 31 65.663 12.763 7.690 1.00 1.45 H new ATOM 0 HD3 LYS A 31 66.529 11.728 8.808 1.00 1.45 H new ATOM 0 HE2 LYS A 31 65.506 13.118 10.391 1.00 2.13 H new ATOM 0 HE3 LYS A 31 66.912 14.119 10.088 1.00 2.13 H new ATOM 0 HZ1 LYS A 31 64.846 15.382 9.746 1.00 3.03 H new ATOM 0 HZ2 LYS A 31 65.691 15.237 8.280 1.00 3.03 H new ATOM 0 HZ3 LYS A 31 64.329 14.267 8.574 1.00 3.03 H new ATOM 414 N ALA A 32 70.871 10.392 6.211 1.00 0.38 N ATOM 415 CA ALA A 32 71.932 9.395 6.544 1.00 0.42 C ATOM 416 C ALA A 32 73.182 9.835 5.785 1.00 0.39 C ATOM 417 O ALA A 32 74.208 10.139 6.364 1.00 0.42 O ATOM 418 CB ALA A 32 71.408 8.044 6.044 1.00 0.43 C ATOM 0 H ALA A 32 70.259 10.130 5.438 1.00 0.38 H new ATOM 0 HA ALA A 32 72.169 9.320 7.605 1.00 0.42 H new ATOM 0 HB1 ALA A 32 72.142 7.267 6.258 1.00 0.43 H new ATOM 0 HB2 ALA A 32 70.471 7.808 6.549 1.00 0.43 H new ATOM 0 HB3 ALA A 32 71.238 8.095 4.969 1.00 0.43 H new ATOM 424 N GLY A 33 73.062 9.924 4.487 1.00 0.35 N ATOM 425 CA GLY A 33 74.192 10.416 3.639 1.00 0.33 C ATOM 426 C GLY A 33 74.606 9.361 2.626 1.00 0.28 C ATOM 427 O GLY A 33 74.083 9.283 1.517 1.00 0.25 O ATOM 0 H GLY A 33 72.219 9.674 3.970 1.00 0.35 H new ATOM 0 HA2 GLY A 33 73.894 11.327 3.120 1.00 0.33 H new ATOM 0 HA3 GLY A 33 75.042 10.673 4.271 1.00 0.33 H new ATOM 431 N THR A 34 75.528 8.534 3.020 1.00 0.28 N ATOM 432 CA THR A 34 76.004 7.450 2.135 1.00 0.26 C ATOM 433 C THR A 34 75.724 6.139 2.863 1.00 0.28 C ATOM 434 O THR A 34 76.381 5.161 2.631 1.00 0.31 O ATOM 435 CB THR A 34 77.538 7.709 1.992 1.00 0.28 C ATOM 436 OG1 THR A 34 77.838 8.101 0.664 1.00 0.69 O ATOM 437 CG2 THR A 34 78.376 6.452 2.335 1.00 0.59 C ATOM 0 H THR A 34 75.978 8.567 3.935 1.00 0.28 H new ATOM 0 HA THR A 34 75.530 7.410 1.154 1.00 0.26 H new ATOM 0 HB THR A 34 77.797 8.499 2.697 1.00 0.28 H new ATOM 0 HG1 THR A 34 78.801 8.264 0.581 1.00 0.69 H new ATOM 0 HG21 THR A 34 79.436 6.679 2.222 1.00 0.59 H new ATOM 0 HG22 THR A 34 78.177 6.152 3.364 1.00 0.59 H new ATOM 0 HG23 THR A 34 78.105 5.639 1.661 1.00 0.59 H new ATOM 445 N ASP A 35 74.757 6.121 3.771 1.00 0.28 N ATOM 446 CA ASP A 35 74.496 4.887 4.550 1.00 0.31 C ATOM 447 C ASP A 35 75.853 4.199 4.727 1.00 0.38 C ATOM 448 O ASP A 35 76.047 3.047 4.384 1.00 0.43 O ATOM 449 CB ASP A 35 73.541 4.090 3.685 1.00 0.32 C ATOM 450 CG ASP A 35 72.087 4.371 4.069 1.00 0.60 C ATOM 451 OD1 ASP A 35 71.765 5.520 4.304 1.00 1.36 O ATOM 452 OD2 ASP A 35 71.314 3.428 4.112 1.00 1.35 O ATOM 0 H ASP A 35 74.151 6.911 3.992 1.00 0.28 H new ATOM 0 HA ASP A 35 74.061 5.031 5.539 1.00 0.31 H new ATOM 0 HB2 ASP A 35 73.699 4.342 2.636 1.00 0.32 H new ATOM 0 HB3 ASP A 35 73.750 3.026 3.792 1.00 0.32 H new ATOM 457 N GLY A 36 76.824 4.993 5.145 1.00 0.42 N ATOM 458 CA GLY A 36 78.234 4.529 5.256 1.00 0.51 C ATOM 459 C GLY A 36 78.364 3.408 6.262 1.00 0.48 C ATOM 460 O GLY A 36 78.865 3.605 7.349 1.00 0.52 O ATOM 0 H GLY A 36 76.682 5.966 5.418 1.00 0.42 H new ATOM 0 HA2 GLY A 36 78.585 4.189 4.282 1.00 0.51 H new ATOM 0 HA3 GLY A 36 78.871 5.362 5.552 1.00 0.51 H new ATOM 464 N VAL A 37 77.912 2.238 5.920 1.00 0.44 N ATOM 465 CA VAL A 37 78.006 1.108 6.877 1.00 0.44 C ATOM 466 C VAL A 37 77.828 -0.228 6.137 1.00 0.43 C ATOM 467 O VAL A 37 78.028 -0.323 4.937 1.00 0.55 O ATOM 468 CB VAL A 37 76.871 1.337 7.895 1.00 0.45 C ATOM 469 CG1 VAL A 37 77.434 1.861 9.219 1.00 0.59 C ATOM 470 CG2 VAL A 37 75.832 2.349 7.354 1.00 0.42 C ATOM 0 H VAL A 37 77.483 2.016 5.022 1.00 0.44 H new ATOM 0 HA VAL A 37 78.977 1.064 7.371 1.00 0.44 H new ATOM 0 HB VAL A 37 76.381 0.377 8.059 1.00 0.45 H new ATOM 0 HG11 VAL A 37 76.618 2.017 9.925 1.00 0.59 H new ATOM 0 HG12 VAL A 37 78.135 1.134 9.629 1.00 0.59 H new ATOM 0 HG13 VAL A 37 77.950 2.806 9.047 1.00 0.59 H new ATOM 0 HG21 VAL A 37 75.043 2.491 8.093 1.00 0.42 H new ATOM 0 HG22 VAL A 37 76.321 3.303 7.158 1.00 0.42 H new ATOM 0 HG23 VAL A 37 75.399 1.967 6.430 1.00 0.42 H new ATOM 480 N LYS A 38 77.452 -1.264 6.845 1.00 0.56 N ATOM 481 CA LYS A 38 77.264 -2.592 6.193 1.00 0.58 C ATOM 482 C LYS A 38 75.830 -2.733 5.652 1.00 0.58 C ATOM 483 O LYS A 38 74.898 -2.904 6.415 1.00 0.71 O ATOM 484 CB LYS A 38 77.527 -3.615 7.310 1.00 0.60 C ATOM 485 CG LYS A 38 77.183 -5.030 6.824 1.00 1.14 C ATOM 486 CD LYS A 38 77.500 -6.044 7.934 1.00 1.38 C ATOM 487 CE LYS A 38 76.228 -6.806 8.332 1.00 1.85 C ATOM 488 NZ LYS A 38 76.537 -7.398 9.672 1.00 2.38 N ATOM 0 H LYS A 38 77.267 -1.245 7.848 1.00 0.56 H new ATOM 0 HA LYS A 38 77.929 -2.732 5.341 1.00 0.58 H new ATOM 0 HB2 LYS A 38 78.573 -3.571 7.614 1.00 0.60 H new ATOM 0 HB3 LYS A 38 76.929 -3.368 8.187 1.00 0.60 H new ATOM 0 HG2 LYS A 38 76.128 -5.087 6.555 1.00 1.14 H new ATOM 0 HG3 LYS A 38 77.754 -5.267 5.926 1.00 1.14 H new ATOM 0 HD2 LYS A 38 78.261 -6.745 7.590 1.00 1.38 H new ATOM 0 HD3 LYS A 38 77.911 -5.528 8.802 1.00 1.38 H new ATOM 0 HE2 LYS A 38 75.368 -6.139 8.384 1.00 1.85 H new ATOM 0 HE3 LYS A 38 75.987 -7.581 7.604 1.00 1.85 H new ATOM 0 HZ1 LYS A 38 75.714 -7.936 10.012 1.00 2.38 H new ATOM 0 HZ2 LYS A 38 77.356 -8.034 9.590 1.00 2.38 H new ATOM 0 HZ3 LYS A 38 76.756 -6.637 10.346 1.00 2.38 H new ATOM 502 N LEU A 39 75.635 -2.659 4.349 1.00 0.48 N ATOM 503 CA LEU A 39 74.240 -2.802 3.801 1.00 0.51 C ATOM 504 C LEU A 39 73.953 -4.258 3.358 1.00 0.59 C ATOM 505 O LEU A 39 74.400 -4.688 2.313 1.00 0.72 O ATOM 506 CB LEU A 39 74.177 -1.862 2.602 1.00 0.54 C ATOM 507 CG LEU A 39 72.715 -1.592 2.259 1.00 0.76 C ATOM 508 CD1 LEU A 39 72.373 -0.142 2.590 1.00 1.34 C ATOM 509 CD2 LEU A 39 72.484 -1.845 0.771 1.00 1.21 C ATOM 0 H LEU A 39 76.366 -2.509 3.654 1.00 0.48 H new ATOM 0 HA LEU A 39 73.493 -2.558 4.557 1.00 0.51 H new ATOM 0 HB2 LEU A 39 74.689 -0.927 2.829 1.00 0.54 H new ATOM 0 HB3 LEU A 39 74.688 -2.306 1.748 1.00 0.54 H new ATOM 0 HG LEU A 39 72.077 -2.257 2.842 1.00 0.76 H new ATOM 0 HD11 LEU A 39 71.329 0.051 2.345 1.00 1.34 H new ATOM 0 HD12 LEU A 39 72.535 0.037 3.653 1.00 1.34 H new ATOM 0 HD13 LEU A 39 73.011 0.524 2.009 1.00 1.34 H new ATOM 0 HD21 LEU A 39 71.439 -1.652 0.527 1.00 1.21 H new ATOM 0 HD22 LEU A 39 73.122 -1.182 0.186 1.00 1.21 H new ATOM 0 HD23 LEU A 39 72.726 -2.882 0.536 1.00 1.21 H new ATOM 521 N PRO A 40 73.203 -4.967 4.177 1.00 0.62 N ATOM 522 CA PRO A 40 72.845 -6.393 3.876 1.00 0.78 C ATOM 523 C PRO A 40 71.828 -6.520 2.731 1.00 0.72 C ATOM 524 O PRO A 40 71.553 -5.580 2.016 1.00 0.69 O ATOM 525 CB PRO A 40 72.199 -6.875 5.169 1.00 0.86 C ATOM 526 CG PRO A 40 71.690 -5.637 5.835 1.00 0.76 C ATOM 527 CD PRO A 40 72.620 -4.519 5.450 1.00 0.63 C ATOM 0 HA PRO A 40 73.720 -6.962 3.562 1.00 0.78 H new ATOM 0 HB2 PRO A 40 71.389 -7.576 4.968 1.00 0.86 H new ATOM 0 HB3 PRO A 40 72.920 -7.394 5.800 1.00 0.86 H new ATOM 0 HG2 PRO A 40 70.671 -5.418 5.516 1.00 0.76 H new ATOM 0 HG3 PRO A 40 71.665 -5.763 6.917 1.00 0.76 H new ATOM 0 HD2 PRO A 40 72.085 -3.576 5.335 1.00 0.63 H new ATOM 0 HD3 PRO A 40 73.388 -4.359 6.207 1.00 0.63 H new ATOM 535 N ALA A 41 71.248 -7.693 2.579 1.00 0.81 N ATOM 536 CA ALA A 41 70.221 -7.896 1.509 1.00 0.87 C ATOM 537 C ALA A 41 69.169 -8.933 1.937 1.00 0.80 C ATOM 538 O ALA A 41 67.988 -8.751 1.708 1.00 0.76 O ATOM 539 CB ALA A 41 70.978 -8.389 0.279 1.00 1.23 C ATOM 0 H ALA A 41 71.444 -8.515 3.151 1.00 0.81 H new ATOM 0 HA ALA A 41 69.685 -6.969 1.308 1.00 0.87 H new ATOM 0 HB1 ALA A 41 70.276 -8.555 -0.538 1.00 1.23 H new ATOM 0 HB2 ALA A 41 71.713 -7.641 -0.020 1.00 1.23 H new ATOM 0 HB3 ALA A 41 71.487 -9.323 0.515 1.00 1.23 H new ATOM 545 N SER A 42 69.586 -10.018 2.554 1.00 0.90 N ATOM 546 CA SER A 42 68.604 -11.059 3.005 1.00 0.91 C ATOM 547 C SER A 42 67.541 -10.391 3.886 1.00 0.76 C ATOM 548 O SER A 42 67.797 -10.048 5.028 1.00 1.56 O ATOM 549 CB SER A 42 69.426 -12.074 3.810 1.00 1.07 C ATOM 550 OG SER A 42 70.344 -11.383 4.655 1.00 1.66 O ATOM 0 H SER A 42 70.562 -10.226 2.764 1.00 0.90 H new ATOM 0 HA SER A 42 68.088 -11.544 2.176 1.00 0.91 H new ATOM 0 HB2 SER A 42 68.764 -12.699 4.409 1.00 1.07 H new ATOM 0 HB3 SER A 42 69.966 -12.737 3.134 1.00 1.07 H new ATOM 0 HG SER A 42 69.871 -10.679 5.146 1.00 1.66 H new ATOM 556 N ALA A 43 66.370 -10.157 3.338 1.00 0.60 N ATOM 557 CA ALA A 43 65.292 -9.455 4.104 1.00 0.49 C ATOM 558 C ALA A 43 65.778 -8.035 4.456 1.00 0.44 C ATOM 559 O ALA A 43 65.621 -7.562 5.568 1.00 0.50 O ATOM 560 CB ALA A 43 65.035 -10.301 5.361 1.00 0.61 C ATOM 0 H ALA A 43 66.115 -10.424 2.387 1.00 0.60 H new ATOM 0 HA ALA A 43 64.368 -9.350 3.535 1.00 0.49 H new ATOM 0 HB1 ALA A 43 64.254 -9.834 5.960 1.00 0.61 H new ATOM 0 HB2 ALA A 43 64.718 -11.302 5.068 1.00 0.61 H new ATOM 0 HB3 ALA A 43 65.951 -10.368 5.948 1.00 0.61 H new ATOM 566 N ARG A 44 66.374 -7.360 3.493 1.00 0.39 N ATOM 567 CA ARG A 44 66.888 -5.969 3.713 1.00 0.40 C ATOM 568 C ARG A 44 67.489 -5.413 2.402 1.00 0.34 C ATOM 569 O ARG A 44 68.648 -5.043 2.343 1.00 0.38 O ATOM 570 CB ARG A 44 67.961 -6.096 4.807 1.00 0.48 C ATOM 571 CG ARG A 44 67.806 -4.943 5.806 1.00 0.62 C ATOM 572 CD ARG A 44 67.411 -5.492 7.183 1.00 1.17 C ATOM 573 NE ARG A 44 67.922 -4.484 8.169 1.00 1.46 N ATOM 574 CZ ARG A 44 68.124 -4.819 9.411 1.00 2.08 C ATOM 575 NH1 ARG A 44 67.114 -4.987 10.210 1.00 2.54 N ATOM 576 NH2 ARG A 44 69.336 -4.969 9.849 1.00 2.87 N ATOM 0 H ARG A 44 66.526 -7.723 2.552 1.00 0.39 H new ATOM 0 HA ARG A 44 66.099 -5.279 4.014 1.00 0.40 H new ATOM 0 HB2 ARG A 44 67.862 -7.053 5.320 1.00 0.48 H new ATOM 0 HB3 ARG A 44 68.955 -6.075 4.361 1.00 0.48 H new ATOM 0 HG2 ARG A 44 68.741 -4.388 5.881 1.00 0.62 H new ATOM 0 HG3 ARG A 44 67.048 -4.244 5.453 1.00 0.62 H new ATOM 0 HD2 ARG A 44 66.331 -5.610 7.265 1.00 1.17 H new ATOM 0 HD3 ARG A 44 67.853 -6.473 7.358 1.00 1.17 H new ATOM 0 HE ARG A 44 68.113 -3.529 7.865 1.00 1.46 H new ATOM 0 HH11 ARG A 44 66.163 -4.857 9.865 1.00 2.54 H new ATOM 0 HH12 ARG A 44 67.272 -5.249 11.183 1.00 2.54 H new ATOM 0 HH21 ARG A 44 70.127 -4.825 9.221 1.00 2.87 H new ATOM 0 HH22 ARG A 44 69.498 -5.231 10.821 1.00 2.87 H new ATOM 590 N SER A 45 66.693 -5.336 1.357 1.00 0.29 N ATOM 591 CA SER A 45 67.198 -4.784 0.047 1.00 0.24 C ATOM 592 C SER A 45 66.424 -3.497 -0.279 1.00 0.24 C ATOM 593 O SER A 45 66.055 -2.786 0.631 1.00 0.27 O ATOM 594 CB SER A 45 66.948 -5.882 -0.989 1.00 0.25 C ATOM 595 OG SER A 45 68.183 -6.244 -1.604 1.00 1.22 O ATOM 0 H SER A 45 65.716 -5.630 1.352 1.00 0.29 H new ATOM 0 HA SER A 45 68.256 -4.524 0.069 1.00 0.24 H new ATOM 0 HB2 SER A 45 66.498 -6.752 -0.511 1.00 0.25 H new ATOM 0 HB3 SER A 45 66.243 -5.532 -1.743 1.00 0.25 H new ATOM 0 HG SER A 45 68.509 -5.497 -2.148 1.00 1.22 H new ATOM 601 N PHE A 46 66.137 -3.186 -1.539 1.00 0.23 N ATOM 602 CA PHE A 46 65.357 -1.935 -1.833 1.00 0.24 C ATOM 603 C PHE A 46 65.303 -1.633 -3.328 1.00 0.21 C ATOM 604 O PHE A 46 65.962 -2.263 -4.133 1.00 0.24 O ATOM 605 CB PHE A 46 66.034 -0.753 -1.103 1.00 0.24 C ATOM 606 CG PHE A 46 67.475 -0.562 -1.521 1.00 0.21 C ATOM 607 CD1 PHE A 46 68.493 -1.274 -0.877 1.00 1.22 C ATOM 608 CD2 PHE A 46 67.793 0.360 -2.524 1.00 1.19 C ATOM 609 CE1 PHE A 46 69.826 -1.069 -1.240 1.00 1.21 C ATOM 610 CE2 PHE A 46 69.128 0.571 -2.882 1.00 1.20 C ATOM 611 CZ PHE A 46 70.145 -0.146 -2.240 1.00 0.24 C ATOM 0 H PHE A 46 66.406 -3.736 -2.354 1.00 0.23 H new ATOM 0 HA PHE A 46 64.334 -2.080 -1.487 1.00 0.24 H new ATOM 0 HB2 PHE A 46 65.476 0.162 -1.305 1.00 0.24 H new ATOM 0 HB3 PHE A 46 65.991 -0.922 -0.027 1.00 0.24 H new ATOM 0 HD1 PHE A 46 68.248 -1.982 -0.099 1.00 1.22 H new ATOM 0 HD2 PHE A 46 67.007 0.909 -3.022 1.00 1.19 H new ATOM 0 HE1 PHE A 46 70.611 -1.624 -0.748 1.00 1.21 H new ATOM 0 HE2 PHE A 46 69.374 1.286 -3.653 1.00 1.20 H new ATOM 0 HZ PHE A 46 71.176 0.014 -2.518 1.00 0.24 H new ATOM 621 N ALA A 47 64.543 -0.636 -3.686 1.00 0.19 N ATOM 622 CA ALA A 47 64.459 -0.230 -5.121 1.00 0.19 C ATOM 623 C ALA A 47 65.358 0.978 -5.306 1.00 0.17 C ATOM 624 O ALA A 47 65.491 1.786 -4.426 1.00 0.40 O ATOM 625 CB ALA A 47 63.001 0.133 -5.392 1.00 0.25 C ATOM 0 H ALA A 47 63.974 -0.082 -3.046 1.00 0.19 H new ATOM 0 HA ALA A 47 64.775 -1.018 -5.805 1.00 0.19 H new ATOM 0 HB1 ALA A 47 62.889 0.438 -6.433 1.00 0.25 H new ATOM 0 HB2 ALA A 47 62.368 -0.733 -5.197 1.00 0.25 H new ATOM 0 HB3 ALA A 47 62.703 0.954 -4.740 1.00 0.25 H new ATOM 631 N ASN A 48 66.008 1.080 -6.409 1.00 0.24 N ATOM 632 CA ASN A 48 66.938 2.211 -6.613 1.00 0.21 C ATOM 633 C ASN A 48 66.279 3.344 -7.383 1.00 0.23 C ATOM 634 O ASN A 48 66.559 3.540 -8.542 1.00 0.32 O ATOM 635 CB ASN A 48 68.073 1.621 -7.445 1.00 0.30 C ATOM 636 CG ASN A 48 69.400 1.952 -6.810 1.00 0.34 C ATOM 637 OD1 ASN A 48 69.706 3.099 -6.570 1.00 0.36 O ATOM 638 ND2 ASN A 48 70.210 0.992 -6.539 1.00 0.42 N ATOM 0 H ASN A 48 65.939 0.426 -7.189 1.00 0.24 H new ATOM 0 HA ASN A 48 67.269 2.633 -5.664 1.00 0.21 H new ATOM 0 HB2 ASN A 48 67.956 0.540 -7.521 1.00 0.30 H new ATOM 0 HB3 ASN A 48 68.036 2.018 -8.460 1.00 0.30 H new ATOM 0 HD21 ASN A 48 71.117 1.194 -6.119 1.00 0.42 H new ATOM 0 HD22 ASN A 48 69.946 0.028 -6.744 1.00 0.42 H new ATOM 645 N GLY A 49 65.444 4.118 -6.752 1.00 0.25 N ATOM 646 CA GLY A 49 64.814 5.273 -7.480 1.00 0.33 C ATOM 647 C GLY A 49 65.830 6.420 -7.568 1.00 0.28 C ATOM 648 O GLY A 49 65.517 7.555 -7.266 1.00 0.33 O ATOM 0 H GLY A 49 65.167 4.011 -5.776 1.00 0.25 H new ATOM 0 HA2 GLY A 49 64.505 4.965 -8.479 1.00 0.33 H new ATOM 0 HA3 GLY A 49 63.917 5.604 -6.957 1.00 0.33 H new ATOM 652 N THR A 50 67.047 6.113 -7.976 1.00 0.25 N ATOM 653 CA THR A 50 68.141 7.141 -8.086 1.00 0.21 C ATOM 654 C THR A 50 69.454 6.437 -8.443 1.00 0.21 C ATOM 655 O THR A 50 69.483 5.264 -8.753 1.00 0.24 O ATOM 656 CB THR A 50 68.310 7.799 -6.693 1.00 0.25 C ATOM 657 OG1 THR A 50 67.726 6.990 -5.677 1.00 0.36 O ATOM 658 CG2 THR A 50 67.658 9.181 -6.689 1.00 0.38 C ATOM 0 H THR A 50 67.332 5.171 -8.243 1.00 0.25 H new ATOM 0 HA THR A 50 67.894 7.881 -8.847 1.00 0.21 H new ATOM 0 HB THR A 50 69.376 7.898 -6.487 1.00 0.25 H new ATOM 0 HG1 THR A 50 67.409 7.561 -4.946 1.00 0.36 H new ATOM 0 HG21 THR A 50 67.780 9.638 -5.707 1.00 0.38 H new ATOM 0 HG22 THR A 50 68.132 9.809 -7.443 1.00 0.38 H new ATOM 0 HG23 THR A 50 66.596 9.083 -6.914 1.00 0.38 H new ATOM 666 N HIS A 51 70.546 7.138 -8.351 1.00 0.20 N ATOM 667 CA HIS A 51 71.876 6.517 -8.636 1.00 0.23 C ATOM 668 C HIS A 51 72.553 6.142 -7.311 1.00 0.23 C ATOM 669 O HIS A 51 73.749 6.175 -7.233 1.00 0.23 O ATOM 670 CB HIS A 51 72.681 7.624 -9.347 1.00 0.26 C ATOM 671 CG HIS A 51 73.049 8.716 -8.360 1.00 0.24 C ATOM 672 ND1 HIS A 51 74.036 8.803 -7.397 1.00 0.25 N flip ATOM 673 CD2 HIS A 51 72.341 9.906 -8.276 1.00 0.22 C flip ATOM 674 CE1 HIS A 51 73.937 10.021 -6.733 1.00 0.24 C flip ATOM 675 NE2 HIS A 51 72.902 10.646 -7.297 1.00 0.23 N flip ATOM 0 H HIS A 51 70.579 8.123 -8.089 1.00 0.20 H new ATOM 0 HA HIS A 51 71.801 5.613 -9.240 1.00 0.23 H new ATOM 0 HB2 HIS A 51 73.584 7.202 -9.788 1.00 0.26 H new ATOM 0 HB3 HIS A 51 72.094 8.044 -10.164 1.00 0.26 H new ATOM 0 HD1 HIS A 51 74.732 8.083 -7.203 1.00 0.25 H new ATOM 0 HD2 HIS A 51 71.494 10.189 -8.884 1.00 0.22 H new ATOM 0 HE1 HIS A 51 74.564 10.383 -5.932 1.00 0.24 H new ATOM 683 N PHE A 52 71.767 5.821 -6.290 1.00 0.23 N ATOM 684 CA PHE A 52 72.281 5.490 -4.894 1.00 0.25 C ATOM 685 C PHE A 52 73.793 5.147 -4.813 1.00 0.27 C ATOM 686 O PHE A 52 74.161 4.066 -4.424 1.00 0.36 O ATOM 687 CB PHE A 52 71.408 4.299 -4.434 1.00 0.25 C ATOM 688 CG PHE A 52 71.992 2.965 -4.897 1.00 0.23 C ATOM 689 CD1 PHE A 52 72.668 2.856 -6.128 1.00 1.23 C ATOM 690 CD2 PHE A 52 71.902 1.849 -4.056 1.00 1.25 C ATOM 691 CE1 PHE A 52 73.247 1.633 -6.503 1.00 1.24 C ATOM 692 CE2 PHE A 52 72.476 0.631 -4.438 1.00 1.26 C ATOM 693 CZ PHE A 52 73.148 0.522 -5.655 1.00 0.33 C ATOM 0 H PHE A 52 70.751 5.773 -6.369 1.00 0.23 H new ATOM 0 HA PHE A 52 72.199 6.367 -4.252 1.00 0.25 H new ATOM 0 HB2 PHE A 52 71.327 4.304 -3.347 1.00 0.25 H new ATOM 0 HB3 PHE A 52 70.399 4.412 -4.829 1.00 0.25 H new ATOM 0 HD1 PHE A 52 72.741 3.712 -6.783 1.00 1.23 H new ATOM 0 HD2 PHE A 52 71.388 1.928 -3.109 1.00 1.25 H new ATOM 0 HE1 PHE A 52 73.769 1.549 -7.445 1.00 1.24 H new ATOM 0 HE2 PHE A 52 72.398 -0.228 -3.788 1.00 1.26 H new ATOM 0 HZ PHE A 52 73.592 -0.419 -5.944 1.00 0.33 H new ATOM 703 N THR A 53 74.655 6.083 -5.154 1.00 0.23 N ATOM 704 CA THR A 53 76.151 5.860 -5.122 1.00 0.25 C ATOM 705 C THR A 53 76.514 4.652 -4.240 1.00 0.24 C ATOM 706 O THR A 53 76.803 4.803 -3.071 1.00 0.27 O ATOM 707 CB THR A 53 76.700 7.154 -4.528 1.00 0.30 C ATOM 708 OG1 THR A 53 76.495 8.219 -5.439 1.00 0.83 O ATOM 709 CG2 THR A 53 78.193 7.039 -4.225 1.00 0.65 C ATOM 0 H THR A 53 74.381 7.016 -5.461 1.00 0.23 H new ATOM 0 HA THR A 53 76.563 5.640 -6.107 1.00 0.25 H new ATOM 0 HB THR A 53 76.171 7.346 -3.595 1.00 0.30 H new ATOM 0 HG1 THR A 53 76.035 8.955 -4.984 1.00 0.83 H new ATOM 0 HG21 THR A 53 78.552 7.978 -3.803 1.00 0.65 H new ATOM 0 HG22 THR A 53 78.358 6.233 -3.510 1.00 0.65 H new ATOM 0 HG23 THR A 53 78.736 6.824 -5.146 1.00 0.65 H new ATOM 717 N LEU A 54 76.438 3.443 -4.760 1.00 0.21 N ATOM 718 CA LEU A 54 76.711 2.277 -3.890 1.00 0.22 C ATOM 719 C LEU A 54 78.220 1.992 -3.824 1.00 0.21 C ATOM 720 O LEU A 54 78.815 1.382 -4.695 1.00 0.21 O ATOM 721 CB LEU A 54 75.845 1.129 -4.488 1.00 0.20 C ATOM 722 CG LEU A 54 76.666 -0.010 -5.100 1.00 0.20 C ATOM 723 CD1 LEU A 54 77.287 -0.852 -3.988 1.00 0.22 C ATOM 724 CD2 LEU A 54 75.737 -0.905 -5.921 1.00 0.24 C ATOM 0 H LEU A 54 76.203 3.229 -5.729 1.00 0.21 H new ATOM 0 HA LEU A 54 76.440 2.429 -2.845 1.00 0.22 H new ATOM 0 HB2 LEU A 54 75.205 0.723 -3.704 1.00 0.20 H new ATOM 0 HB3 LEU A 54 75.188 1.543 -5.253 1.00 0.20 H new ATOM 0 HG LEU A 54 77.451 0.409 -5.730 1.00 0.20 H new ATOM 0 HD11 LEU A 54 77.870 -1.661 -4.427 1.00 0.22 H new ATOM 0 HD12 LEU A 54 77.937 -0.226 -3.377 1.00 0.22 H new ATOM 0 HD13 LEU A 54 76.497 -1.271 -3.365 1.00 0.22 H new ATOM 0 HD21 LEU A 54 76.312 -1.720 -6.361 1.00 0.24 H new ATOM 0 HD22 LEU A 54 74.962 -1.316 -5.274 1.00 0.24 H new ATOM 0 HD23 LEU A 54 75.273 -0.318 -6.714 1.00 0.24 H new ATOM 736 N ARG A 55 78.840 2.441 -2.764 1.00 0.25 N ATOM 737 CA ARG A 55 80.295 2.191 -2.580 1.00 0.26 C ATOM 738 C ARG A 55 80.405 0.957 -1.676 1.00 0.28 C ATOM 739 O ARG A 55 80.104 1.030 -0.500 1.00 0.35 O ATOM 740 CB ARG A 55 80.843 3.441 -1.882 1.00 0.28 C ATOM 741 CG ARG A 55 81.103 4.552 -2.908 1.00 0.42 C ATOM 742 CD ARG A 55 80.988 5.920 -2.224 1.00 0.50 C ATOM 743 NE ARG A 55 82.395 6.421 -2.105 1.00 1.02 N ATOM 744 CZ ARG A 55 82.635 7.700 -2.079 1.00 1.40 C ATOM 745 NH1 ARG A 55 82.607 8.387 -3.181 1.00 2.24 N ATOM 746 NH2 ARG A 55 82.912 8.284 -0.954 1.00 1.82 N ATOM 0 H ARG A 55 78.396 2.973 -2.015 1.00 0.25 H new ATOM 0 HA ARG A 55 80.845 2.012 -3.504 1.00 0.26 H new ATOM 0 HB2 ARG A 55 80.132 3.788 -1.132 1.00 0.28 H new ATOM 0 HB3 ARG A 55 81.767 3.197 -1.357 1.00 0.28 H new ATOM 0 HG2 ARG A 55 82.095 4.434 -3.343 1.00 0.42 H new ATOM 0 HG3 ARG A 55 80.386 4.481 -3.726 1.00 0.42 H new ATOM 0 HD2 ARG A 55 80.375 6.604 -2.812 1.00 0.50 H new ATOM 0 HD3 ARG A 55 80.517 5.832 -1.245 1.00 0.50 H new ATOM 0 HE ARG A 55 83.167 5.758 -2.044 1.00 1.02 H new ATOM 0 HH11 ARG A 55 82.397 7.924 -4.065 1.00 2.24 H new ATOM 0 HH12 ARG A 55 82.795 9.389 -3.162 1.00 2.24 H new ATOM 0 HH21 ARG A 55 82.942 7.741 -0.091 1.00 1.82 H new ATOM 0 HH22 ARG A 55 83.100 9.286 -0.932 1.00 1.82 H new ATOM 760 N TYR A 56 80.741 -0.191 -2.210 1.00 0.32 N ATOM 761 CA TYR A 56 80.743 -1.412 -1.342 1.00 0.34 C ATOM 762 C TYR A 56 82.048 -2.216 -1.339 1.00 0.33 C ATOM 763 O TYR A 56 83.057 -1.854 -1.924 1.00 0.44 O ATOM 764 CB TYR A 56 79.601 -2.269 -1.919 1.00 0.51 C ATOM 765 CG TYR A 56 80.081 -3.044 -3.134 1.00 0.64 C ATOM 766 CD1 TYR A 56 80.105 -2.436 -4.394 1.00 1.40 C ATOM 767 CD2 TYR A 56 80.508 -4.371 -2.994 1.00 1.36 C ATOM 768 CE1 TYR A 56 80.554 -3.153 -5.510 1.00 1.50 C ATOM 769 CE2 TYR A 56 80.957 -5.087 -4.113 1.00 1.48 C ATOM 770 CZ TYR A 56 80.980 -4.477 -5.370 1.00 1.01 C ATOM 771 OH TYR A 56 81.422 -5.179 -6.473 1.00 1.22 O ATOM 0 H TYR A 56 81.008 -0.337 -3.184 1.00 0.32 H new ATOM 0 HA TYR A 56 80.624 -1.120 -0.298 1.00 0.34 H new ATOM 0 HB2 TYR A 56 79.237 -2.961 -1.159 1.00 0.51 H new ATOM 0 HB3 TYR A 56 78.762 -1.630 -2.196 1.00 0.51 H new ATOM 0 HD1 TYR A 56 79.777 -1.413 -4.506 1.00 1.40 H new ATOM 0 HD2 TYR A 56 80.491 -4.843 -2.023 1.00 1.36 H new ATOM 0 HE1 TYR A 56 80.571 -2.682 -6.482 1.00 1.50 H new ATOM 0 HE2 TYR A 56 81.285 -6.110 -4.003 1.00 1.48 H new ATOM 0 HH TYR A 56 81.682 -6.084 -6.202 1.00 1.22 H new ATOM 781 N GLY A 57 81.974 -3.325 -0.646 1.00 0.33 N ATOM 782 CA GLY A 57 83.111 -4.278 -0.494 1.00 0.35 C ATOM 783 C GLY A 57 82.682 -5.322 0.550 1.00 0.31 C ATOM 784 O GLY A 57 81.635 -5.173 1.158 1.00 0.33 O ATOM 0 H GLY A 57 81.128 -3.619 -0.157 1.00 0.33 H new ATOM 0 HA2 GLY A 57 83.344 -4.756 -1.445 1.00 0.35 H new ATOM 0 HA3 GLY A 57 84.012 -3.756 -0.171 1.00 0.35 H new ATOM 788 N PRO A 58 83.486 -6.332 0.761 1.00 0.33 N ATOM 789 CA PRO A 58 83.130 -7.352 1.784 1.00 0.32 C ATOM 790 C PRO A 58 83.157 -6.687 3.167 1.00 0.32 C ATOM 791 O PRO A 58 84.145 -6.084 3.550 1.00 0.38 O ATOM 792 CB PRO A 58 84.219 -8.415 1.620 1.00 0.39 C ATOM 793 CG PRO A 58 85.368 -7.688 0.995 1.00 0.43 C ATOM 794 CD PRO A 58 84.768 -6.627 0.109 1.00 0.43 C ATOM 0 HA PRO A 58 82.137 -7.787 1.675 1.00 0.32 H new ATOM 0 HB2 PRO A 58 84.499 -8.847 2.581 1.00 0.39 H new ATOM 0 HB3 PRO A 58 83.879 -9.236 0.989 1.00 0.39 H new ATOM 0 HG2 PRO A 58 86.006 -7.242 1.758 1.00 0.43 H new ATOM 0 HG3 PRO A 58 85.991 -8.370 0.417 1.00 0.43 H new ATOM 0 HD2 PRO A 58 85.404 -5.743 0.052 1.00 0.43 H new ATOM 0 HD3 PRO A 58 84.628 -6.986 -0.911 1.00 0.43 H new ATOM 802 N ALA A 59 82.074 -6.750 3.912 1.00 0.29 N ATOM 803 CA ALA A 59 82.070 -6.064 5.250 1.00 0.31 C ATOM 804 C ALA A 59 83.067 -6.721 6.212 1.00 0.31 C ATOM 805 O ALA A 59 83.005 -7.907 6.479 1.00 0.44 O ATOM 806 CB ALA A 59 80.637 -6.197 5.777 1.00 0.41 C ATOM 0 H ALA A 59 81.212 -7.234 3.661 1.00 0.29 H new ATOM 0 HA ALA A 59 82.373 -5.021 5.163 1.00 0.31 H new ATOM 0 HB1 ALA A 59 80.562 -5.717 6.753 1.00 0.41 H new ATOM 0 HB2 ALA A 59 79.948 -5.717 5.082 1.00 0.41 H new ATOM 0 HB3 ALA A 59 80.380 -7.252 5.871 1.00 0.41 H new ATOM 812 N ARG A 60 83.988 -5.948 6.731 1.00 0.30 N ATOM 813 CA ARG A 60 85.000 -6.511 7.679 1.00 0.39 C ATOM 814 C ARG A 60 85.411 -5.455 8.722 1.00 0.41 C ATOM 815 O ARG A 60 86.566 -5.345 9.096 1.00 0.59 O ATOM 816 CB ARG A 60 86.180 -6.896 6.783 1.00 0.51 C ATOM 817 CG ARG A 60 86.286 -8.423 6.709 1.00 0.92 C ATOM 818 CD ARG A 60 87.549 -8.818 5.938 1.00 1.60 C ATOM 819 NE ARG A 60 88.149 -9.940 6.725 1.00 2.00 N ATOM 820 CZ ARG A 60 88.660 -10.972 6.119 1.00 2.55 C ATOM 821 NH1 ARG A 60 87.913 -12.000 5.850 1.00 3.41 N ATOM 822 NH2 ARG A 60 89.916 -10.976 5.795 1.00 2.79 N ATOM 0 H ARG A 60 84.083 -4.951 6.539 1.00 0.30 H new ATOM 0 HA ARG A 60 84.621 -7.361 8.247 1.00 0.39 H new ATOM 0 HB2 ARG A 60 86.043 -6.481 5.784 1.00 0.51 H new ATOM 0 HB3 ARG A 60 87.104 -6.475 7.179 1.00 0.51 H new ATOM 0 HG2 ARG A 60 86.316 -8.844 7.714 1.00 0.92 H new ATOM 0 HG3 ARG A 60 85.405 -8.835 6.217 1.00 0.92 H new ATOM 0 HD2 ARG A 60 87.309 -9.133 4.922 1.00 1.60 H new ATOM 0 HD3 ARG A 60 88.240 -7.979 5.857 1.00 1.60 H new ATOM 0 HE ARG A 60 88.158 -9.896 7.744 1.00 2.00 H new ATOM 0 HH11 ARG A 60 86.928 -11.997 6.114 1.00 3.41 H new ATOM 0 HH12 ARG A 60 88.312 -12.810 5.375 1.00 3.41 H new ATOM 0 HH21 ARG A 60 90.502 -10.171 6.015 1.00 2.79 H new ATOM 0 HH22 ARG A 60 90.318 -11.784 5.320 1.00 2.79 H new ATOM 836 N LYS A 61 84.467 -4.678 9.192 1.00 0.36 N ATOM 837 CA LYS A 61 84.788 -3.626 10.204 1.00 0.41 C ATOM 838 C LYS A 61 83.699 -3.572 11.288 1.00 0.40 C ATOM 839 O LYS A 61 82.965 -2.607 11.401 1.00 0.45 O ATOM 840 CB LYS A 61 84.832 -2.319 9.403 1.00 0.48 C ATOM 841 CG LYS A 61 86.285 -1.900 9.162 1.00 0.80 C ATOM 842 CD LYS A 61 86.801 -1.113 10.372 1.00 1.09 C ATOM 843 CE LYS A 61 87.954 -0.203 9.942 1.00 1.42 C ATOM 844 NZ LYS A 61 88.220 0.666 11.128 1.00 1.77 N ATOM 0 H LYS A 61 83.486 -4.727 8.918 1.00 0.36 H new ATOM 0 HA LYS A 61 85.727 -3.819 10.723 1.00 0.41 H new ATOM 0 HB2 LYS A 61 84.320 -2.450 8.450 1.00 0.48 H new ATOM 0 HB3 LYS A 61 84.303 -1.534 9.944 1.00 0.48 H new ATOM 0 HG2 LYS A 61 86.905 -2.781 8.997 1.00 0.80 H new ATOM 0 HG3 LYS A 61 86.353 -1.289 8.262 1.00 0.80 H new ATOM 0 HD2 LYS A 61 85.995 -0.517 10.801 1.00 1.09 H new ATOM 0 HD3 LYS A 61 87.137 -1.800 11.148 1.00 1.09 H new ATOM 0 HE2 LYS A 61 88.836 -0.784 9.672 1.00 1.42 H new ATOM 0 HE3 LYS A 61 87.684 0.391 9.069 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 89.000 1.319 10.912 1.00 1.77 H new ATOM 0 HZ2 LYS A 61 87.365 1.211 11.358 1.00 1.77 H new ATOM 0 HZ3 LYS A 61 88.481 0.073 11.941 1.00 1.77 H new ATOM 858 N VAL A 62 83.601 -4.599 12.096 1.00 0.66 N ATOM 859 CA VAL A 62 82.571 -4.602 13.187 1.00 0.77 C ATOM 860 C VAL A 62 83.060 -3.747 14.368 1.00 0.84 C ATOM 861 O VAL A 62 82.280 -3.292 15.184 1.00 0.93 O ATOM 862 CB VAL A 62 82.411 -6.070 13.599 1.00 0.95 C ATOM 863 CG1 VAL A 62 81.378 -6.183 14.723 1.00 1.10 C ATOM 864 CG2 VAL A 62 81.930 -6.898 12.403 1.00 1.02 C ATOM 0 H VAL A 62 84.186 -5.433 12.050 1.00 0.66 H new ATOM 0 HA VAL A 62 81.621 -4.180 12.860 1.00 0.77 H new ATOM 0 HB VAL A 62 83.375 -6.444 13.943 1.00 0.95 H new ATOM 0 HG11 VAL A 62 81.268 -7.228 15.012 1.00 1.10 H new ATOM 0 HG12 VAL A 62 81.711 -5.602 15.583 1.00 1.10 H new ATOM 0 HG13 VAL A 62 80.419 -5.800 14.375 1.00 1.10 H new ATOM 0 HG21 VAL A 62 81.819 -7.940 12.703 1.00 1.02 H new ATOM 0 HG22 VAL A 62 80.970 -6.515 12.058 1.00 1.02 H new ATOM 0 HG23 VAL A 62 82.659 -6.829 11.596 1.00 1.02 H new ATOM 874 N THR A 63 84.348 -3.512 14.452 1.00 0.88 N ATOM 875 CA THR A 63 84.897 -2.674 15.564 1.00 1.02 C ATOM 876 C THR A 63 84.687 -1.179 15.254 1.00 0.89 C ATOM 877 O THR A 63 85.615 -0.447 14.956 1.00 0.98 O ATOM 878 CB THR A 63 86.392 -3.032 15.647 1.00 1.21 C ATOM 879 OG1 THR A 63 87.010 -2.246 16.654 1.00 1.80 O ATOM 880 CG2 THR A 63 87.089 -2.770 14.308 1.00 1.75 C ATOM 0 H THR A 63 85.044 -3.866 13.796 1.00 0.88 H new ATOM 0 HA THR A 63 84.397 -2.864 16.514 1.00 1.02 H new ATOM 0 HB THR A 63 86.481 -4.091 15.888 1.00 1.21 H new ATOM 0 HG1 THR A 63 86.923 -1.297 16.427 1.00 1.80 H new ATOM 0 HG21 THR A 63 88.144 -3.030 14.390 1.00 1.75 H new ATOM 0 HG22 THR A 63 86.625 -3.378 13.531 1.00 1.75 H new ATOM 0 HG23 THR A 63 86.994 -1.716 14.049 1.00 1.75 H new ATOM 888 N CYS A 64 83.458 -0.725 15.314 1.00 0.79 N ATOM 889 CA CYS A 64 83.167 0.713 15.022 1.00 0.73 C ATOM 890 C CYS A 64 83.383 1.575 16.273 1.00 0.91 C ATOM 891 O CYS A 64 83.553 1.075 17.368 1.00 1.03 O ATOM 892 CB CYS A 64 81.695 0.754 14.591 1.00 0.62 C ATOM 893 SG CYS A 64 81.260 -0.754 13.683 1.00 0.60 S ATOM 0 H CYS A 64 82.643 -1.290 15.553 1.00 0.79 H new ATOM 0 HA CYS A 64 83.827 1.108 14.250 1.00 0.73 H new ATOM 0 HB2 CYS A 64 81.055 0.855 15.468 1.00 0.62 H new ATOM 0 HB3 CYS A 64 81.517 1.628 13.964 1.00 0.62 H new ATOM 0 HG CYS A 64 81.104 -0.472 12.423 1.00 0.60 H new ATOM 898 N VAL A 65 83.368 2.872 16.114 1.00 1.00 N ATOM 899 CA VAL A 65 83.564 3.775 17.292 1.00 1.20 C ATOM 900 C VAL A 65 82.257 3.880 18.083 1.00 1.21 C ATOM 901 O VAL A 65 82.243 3.795 19.294 1.00 1.32 O ATOM 902 CB VAL A 65 83.951 5.130 16.697 1.00 1.35 C ATOM 903 CG1 VAL A 65 83.939 6.208 17.782 1.00 1.80 C ATOM 904 CG2 VAL A 65 85.353 5.046 16.090 1.00 2.00 C ATOM 0 H VAL A 65 83.229 3.347 15.222 1.00 1.00 H new ATOM 0 HA VAL A 65 84.327 3.409 17.979 1.00 1.20 H new ATOM 0 HB VAL A 65 83.228 5.390 15.923 1.00 1.35 H new ATOM 0 HG11 VAL A 65 84.216 7.167 17.345 1.00 1.80 H new ATOM 0 HG12 VAL A 65 82.940 6.280 18.212 1.00 1.80 H new ATOM 0 HG13 VAL A 65 84.652 5.946 18.563 1.00 1.80 H new ATOM 0 HG21 VAL A 65 85.625 6.013 15.667 1.00 2.00 H new ATOM 0 HG22 VAL A 65 86.069 4.774 16.865 1.00 2.00 H new ATOM 0 HG23 VAL A 65 85.365 4.290 15.304 1.00 2.00 H new ATOM 914 N ARG A 66 81.160 4.054 17.392 1.00 1.15 N ATOM 915 CA ARG A 66 79.832 4.154 18.079 1.00 1.22 C ATOM 916 C ARG A 66 78.682 3.999 17.063 1.00 1.02 C ATOM 917 O ARG A 66 77.638 4.594 17.230 1.00 1.21 O ATOM 918 CB ARG A 66 79.814 5.553 18.719 1.00 1.48 C ATOM 919 CG ARG A 66 80.004 6.619 17.633 1.00 1.50 C ATOM 920 CD ARG A 66 80.620 7.879 18.243 1.00 1.89 C ATOM 921 NE ARG A 66 79.472 8.809 18.467 1.00 2.58 N ATOM 922 CZ ARG A 66 79.591 9.798 19.295 1.00 3.12 C ATOM 923 NH1 ARG A 66 79.294 9.635 20.541 1.00 3.76 N ATOM 924 NH2 ARG A 66 80.002 10.948 18.866 1.00 3.51 N ATOM 0 H ARG A 66 81.124 4.132 16.376 1.00 1.15 H new ATOM 0 HA ARG A 66 79.695 3.368 18.822 1.00 1.22 H new ATOM 0 HB2 ARG A 66 78.870 5.714 19.239 1.00 1.48 H new ATOM 0 HB3 ARG A 66 80.606 5.633 19.464 1.00 1.48 H new ATOM 0 HG2 ARG A 66 80.649 6.235 16.843 1.00 1.50 H new ATOM 0 HG3 ARG A 66 79.045 6.858 17.174 1.00 1.50 H new ATOM 0 HD2 ARG A 66 81.132 7.653 19.178 1.00 1.89 H new ATOM 0 HD3 ARG A 66 81.359 8.320 17.573 1.00 1.89 H new ATOM 0 HE ARG A 66 78.594 8.665 17.968 1.00 2.58 H new ATOM 0 HH11 ARG A 66 78.966 8.728 20.873 1.00 3.76 H new ATOM 0 HH12 ARG A 66 79.387 10.413 21.194 1.00 3.76 H new ATOM 0 HH21 ARG A 66 80.231 11.072 17.880 1.00 3.51 H new ATOM 0 HH22 ARG A 66 80.097 11.730 19.514 1.00 3.51 H new ATOM 938 N PHE A 67 78.904 3.197 16.020 1.00 0.91 N ATOM 939 CA PHE A 67 77.893 2.924 14.920 1.00 0.73 C ATOM 940 C PHE A 67 78.343 3.497 13.553 1.00 0.58 C ATOM 941 O PHE A 67 78.209 2.820 12.553 1.00 0.54 O ATOM 942 CB PHE A 67 76.557 3.542 15.328 1.00 0.86 C ATOM 943 CG PHE A 67 75.526 3.297 14.248 1.00 0.87 C ATOM 944 CD1 PHE A 67 75.139 1.989 13.928 1.00 1.38 C ATOM 945 CD2 PHE A 67 74.965 4.380 13.563 1.00 1.46 C ATOM 946 CE1 PHE A 67 74.190 1.768 12.923 1.00 1.45 C ATOM 947 CE2 PHE A 67 74.018 4.158 12.557 1.00 1.46 C ATOM 948 CZ PHE A 67 73.630 2.851 12.237 1.00 0.96 C ATOM 0 H PHE A 67 79.786 2.702 15.886 1.00 0.91 H new ATOM 0 HA PHE A 67 77.801 1.845 14.797 1.00 0.73 H new ATOM 0 HB2 PHE A 67 76.219 3.110 16.270 1.00 0.86 H new ATOM 0 HB3 PHE A 67 76.677 4.613 15.493 1.00 0.86 H new ATOM 0 HD1 PHE A 67 75.572 1.152 14.456 1.00 1.38 H new ATOM 0 HD2 PHE A 67 75.263 5.388 13.811 1.00 1.46 H new ATOM 0 HE1 PHE A 67 73.890 0.760 12.677 1.00 1.45 H new ATOM 0 HE2 PHE A 67 73.586 4.994 12.027 1.00 1.46 H new ATOM 0 HZ PHE A 67 72.899 2.679 11.461 1.00 0.96 H new ATOM 958 N PRO A 68 78.838 4.725 13.524 1.00 0.75 N ATOM 959 CA PRO A 68 79.258 5.343 12.226 1.00 0.83 C ATOM 960 C PRO A 68 80.492 4.654 11.599 1.00 0.71 C ATOM 961 O PRO A 68 81.493 5.288 11.315 1.00 0.84 O ATOM 962 CB PRO A 68 79.555 6.796 12.602 1.00 1.18 C ATOM 963 CG PRO A 68 79.871 6.759 14.058 1.00 1.26 C ATOM 964 CD PRO A 68 79.051 5.645 14.650 1.00 1.04 C ATOM 0 HA PRO A 68 78.488 5.244 11.461 1.00 0.83 H new ATOM 0 HB2 PRO A 68 80.392 7.190 12.026 1.00 1.18 H new ATOM 0 HB3 PRO A 68 78.699 7.439 12.400 1.00 1.18 H new ATOM 0 HG2 PRO A 68 80.935 6.584 14.219 1.00 1.26 H new ATOM 0 HG3 PRO A 68 79.629 7.711 14.531 1.00 1.26 H new ATOM 0 HD2 PRO A 68 79.575 5.156 15.471 1.00 1.04 H new ATOM 0 HD3 PRO A 68 78.106 6.013 15.049 1.00 1.04 H new ATOM 972 N CYS A 69 80.410 3.374 11.338 1.00 0.56 N ATOM 973 CA CYS A 69 81.554 2.661 10.678 1.00 0.49 C ATOM 974 C CYS A 69 81.174 2.324 9.249 1.00 0.43 C ATOM 975 O CYS A 69 80.077 1.892 8.993 1.00 0.44 O ATOM 976 CB CYS A 69 81.773 1.346 11.431 1.00 0.50 C ATOM 977 SG CYS A 69 80.181 0.566 11.811 1.00 0.92 S ATOM 0 H CYS A 69 79.602 2.789 11.552 1.00 0.56 H new ATOM 0 HA CYS A 69 82.448 3.284 10.689 1.00 0.49 H new ATOM 0 HB2 CYS A 69 82.382 0.671 10.829 1.00 0.50 H new ATOM 0 HB3 CYS A 69 82.323 1.534 12.353 1.00 0.50 H new ATOM 0 HG CYS A 69 80.209 0.090 13.020 1.00 0.92 H new ATOM 982 N TYR A 70 82.074 2.449 8.321 1.00 0.42 N ATOM 983 CA TYR A 70 81.727 2.069 6.923 1.00 0.44 C ATOM 984 C TYR A 70 81.821 0.552 6.755 1.00 0.38 C ATOM 985 O TYR A 70 81.829 0.049 5.655 1.00 0.43 O ATOM 986 CB TYR A 70 82.786 2.744 6.067 1.00 0.53 C ATOM 987 CG TYR A 70 82.761 4.249 6.245 1.00 0.64 C ATOM 988 CD1 TYR A 70 81.608 4.898 6.708 1.00 1.46 C ATOM 989 CD2 TYR A 70 83.906 4.997 5.943 1.00 1.35 C ATOM 990 CE1 TYR A 70 81.603 6.287 6.865 1.00 1.53 C ATOM 991 CE2 TYR A 70 83.898 6.385 6.104 1.00 1.47 C ATOM 992 CZ TYR A 70 82.747 7.028 6.564 1.00 0.98 C ATOM 993 OH TYR A 70 82.738 8.395 6.713 1.00 1.17 O ATOM 0 H TYR A 70 83.024 2.793 8.463 1.00 0.42 H new ATOM 0 HA TYR A 70 80.714 2.368 6.652 1.00 0.44 H new ATOM 0 HB2 TYR A 70 83.771 2.360 6.334 1.00 0.53 H new ATOM 0 HB3 TYR A 70 82.621 2.497 5.018 1.00 0.53 H new ATOM 0 HD1 TYR A 70 80.723 4.325 6.943 1.00 1.46 H new ATOM 0 HD2 TYR A 70 84.796 4.501 5.585 1.00 1.35 H new ATOM 0 HE1 TYR A 70 80.714 6.787 7.219 1.00 1.53 H new ATOM 0 HE2 TYR A 70 84.782 6.961 5.873 1.00 1.47 H new ATOM 0 HH TYR A 70 83.613 8.757 6.462 1.00 1.17 H new ATOM 1003 N GLN A 71 81.875 -0.163 7.853 1.00 0.32 N ATOM 1004 CA GLN A 71 81.978 -1.649 7.844 1.00 0.32 C ATOM 1005 C GLN A 71 82.814 -2.207 6.664 1.00 0.38 C ATOM 1006 O GLN A 71 82.614 -3.337 6.256 1.00 0.43 O ATOM 1007 CB GLN A 71 80.537 -2.100 7.742 1.00 0.33 C ATOM 1008 CG GLN A 71 79.948 -2.286 9.152 1.00 0.35 C ATOM 1009 CD GLN A 71 80.435 -3.603 9.778 1.00 0.43 C ATOM 1010 OE1 GLN A 71 81.086 -4.404 9.135 1.00 1.13 O ATOM 1011 NE2 GLN A 71 80.146 -3.863 11.021 1.00 1.13 N ATOM 0 H GLN A 71 81.851 0.243 8.788 1.00 0.32 H new ATOM 0 HA GLN A 71 82.497 -2.015 8.730 1.00 0.32 H new ATOM 0 HB2 GLN A 71 79.954 -1.364 7.189 1.00 0.33 H new ATOM 0 HB3 GLN A 71 80.478 -3.036 7.187 1.00 0.33 H new ATOM 0 HG2 GLN A 71 80.238 -1.448 9.786 1.00 0.35 H new ATOM 0 HG3 GLN A 71 78.859 -2.284 9.099 1.00 0.35 H new ATOM 0 HE21 GLN A 71 79.600 -3.197 11.568 1.00 1.13 H new ATOM 0 HE22 GLN A 71 80.465 -4.733 11.448 1.00 1.13 H new ATOM 1020 N TYR A 72 83.738 -1.451 6.102 1.00 0.42 N ATOM 1021 CA TYR A 72 84.518 -1.997 4.952 1.00 0.51 C ATOM 1022 C TYR A 72 85.718 -1.115 4.582 1.00 0.46 C ATOM 1023 O TYR A 72 86.149 -0.267 5.340 1.00 0.43 O ATOM 1024 CB TYR A 72 83.496 -2.005 3.817 1.00 0.65 C ATOM 1025 CG TYR A 72 83.360 -0.647 3.109 1.00 0.69 C ATOM 1026 CD1 TYR A 72 83.676 0.557 3.761 1.00 1.29 C ATOM 1027 CD2 TYR A 72 82.881 -0.606 1.789 1.00 1.48 C ATOM 1028 CE1 TYR A 72 83.517 1.782 3.095 1.00 1.32 C ATOM 1029 CE2 TYR A 72 82.718 0.619 1.133 1.00 1.55 C ATOM 1030 CZ TYR A 72 83.036 1.810 1.784 1.00 0.88 C ATOM 1031 OH TYR A 72 82.863 3.015 1.134 1.00 1.01 O ATOM 0 H TYR A 72 83.977 -0.501 6.387 1.00 0.42 H new ATOM 0 HA TYR A 72 84.946 -2.974 5.176 1.00 0.51 H new ATOM 0 HB2 TYR A 72 83.782 -2.761 3.086 1.00 0.65 H new ATOM 0 HB3 TYR A 72 82.524 -2.298 4.215 1.00 0.65 H new ATOM 0 HD1 TYR A 72 84.042 0.540 4.777 1.00 1.29 H new ATOM 0 HD2 TYR A 72 82.637 -1.525 1.278 1.00 1.48 H new ATOM 0 HE1 TYR A 72 83.767 2.705 3.597 1.00 1.32 H new ATOM 0 HE2 TYR A 72 82.345 0.642 0.120 1.00 1.55 H new ATOM 0 HH TYR A 72 83.387 3.709 1.586 1.00 1.01 H new ATOM 1041 N ALA A 73 86.221 -1.296 3.387 1.00 0.48 N ATOM 1042 CA ALA A 73 87.362 -0.458 2.901 1.00 0.46 C ATOM 1043 C ALA A 73 87.185 -0.110 1.408 1.00 0.43 C ATOM 1044 O ALA A 73 88.133 0.225 0.724 1.00 0.46 O ATOM 1045 CB ALA A 73 88.616 -1.311 3.119 1.00 0.49 C ATOM 0 H ALA A 73 85.888 -1.994 2.721 1.00 0.48 H new ATOM 0 HA ALA A 73 87.424 0.491 3.434 1.00 0.46 H new ATOM 0 HB1 ALA A 73 89.494 -0.759 2.784 1.00 0.49 H new ATOM 0 HB2 ALA A 73 88.717 -1.545 4.179 1.00 0.49 H new ATOM 0 HB3 ALA A 73 88.530 -2.236 2.549 1.00 0.49 H new ATOM 1051 N THR A 74 85.965 -0.172 0.919 1.00 0.39 N ATOM 1052 CA THR A 74 85.643 0.159 -0.525 1.00 0.36 C ATOM 1053 C THR A 74 86.351 -0.779 -1.518 1.00 0.36 C ATOM 1054 O THR A 74 87.558 -0.778 -1.651 1.00 0.46 O ATOM 1055 CB THR A 74 86.066 1.631 -0.772 1.00 0.40 C ATOM 1056 OG1 THR A 74 87.466 1.725 -1.001 1.00 0.43 O ATOM 1057 CG2 THR A 74 85.701 2.505 0.427 1.00 0.47 C ATOM 0 H THR A 74 85.152 -0.445 1.471 1.00 0.39 H new ATOM 0 HA THR A 74 84.575 0.022 -0.692 1.00 0.36 H new ATOM 0 HB THR A 74 85.532 1.982 -1.655 1.00 0.40 H new ATOM 0 HG1 THR A 74 87.894 0.875 -0.766 1.00 0.43 H new ATOM 0 HG21 THR A 74 86.006 3.533 0.234 1.00 0.47 H new ATOM 0 HG22 THR A 74 84.624 2.470 0.588 1.00 0.47 H new ATOM 0 HG23 THR A 74 86.213 2.136 1.316 1.00 0.47 H new ATOM 1065 N VAL A 75 85.590 -1.567 -2.240 1.00 0.36 N ATOM 1066 CA VAL A 75 86.198 -2.490 -3.256 1.00 0.37 C ATOM 1067 C VAL A 75 85.789 -2.056 -4.685 1.00 0.35 C ATOM 1068 O VAL A 75 86.198 -2.650 -5.665 1.00 0.39 O ATOM 1069 CB VAL A 75 85.650 -3.884 -2.909 1.00 0.38 C ATOM 1070 CG1 VAL A 75 85.863 -4.853 -4.075 1.00 0.57 C ATOM 1071 CG2 VAL A 75 86.383 -4.434 -1.683 1.00 0.57 C ATOM 0 H VAL A 75 84.573 -1.612 -2.171 1.00 0.36 H new ATOM 0 HA VAL A 75 87.288 -2.478 -3.234 1.00 0.37 H new ATOM 0 HB VAL A 75 84.583 -3.790 -2.705 1.00 0.38 H new ATOM 0 HG11 VAL A 75 85.469 -5.834 -3.810 1.00 0.57 H new ATOM 0 HG12 VAL A 75 85.344 -4.480 -4.958 1.00 0.57 H new ATOM 0 HG13 VAL A 75 86.929 -4.936 -4.289 1.00 0.57 H new ATOM 0 HG21 VAL A 75 85.993 -5.422 -1.439 1.00 0.57 H new ATOM 0 HG22 VAL A 75 87.449 -4.508 -1.899 1.00 0.57 H new ATOM 0 HG23 VAL A 75 86.230 -3.764 -0.837 1.00 0.57 H new ATOM 1081 N GLY A 76 84.989 -1.018 -4.810 1.00 0.36 N ATOM 1082 CA GLY A 76 84.560 -0.543 -6.167 1.00 0.37 C ATOM 1083 C GLY A 76 83.076 -0.171 -6.136 1.00 0.32 C ATOM 1084 O GLY A 76 82.225 -1.022 -5.993 1.00 0.32 O ATOM 0 H GLY A 76 84.615 -0.480 -4.028 1.00 0.36 H new ATOM 0 HA2 GLY A 76 85.155 0.320 -6.466 1.00 0.37 H new ATOM 0 HA3 GLY A 76 84.734 -1.323 -6.908 1.00 0.37 H new ATOM 1088 N LYS A 77 82.751 1.095 -6.255 1.00 0.30 N ATOM 1089 CA LYS A 77 81.297 1.488 -6.208 1.00 0.27 C ATOM 1090 C LYS A 77 80.570 1.194 -7.499 1.00 0.25 C ATOM 1091 O LYS A 77 81.130 1.160 -8.578 1.00 0.28 O ATOM 1092 CB LYS A 77 81.183 3.010 -6.034 1.00 0.28 C ATOM 1093 CG LYS A 77 82.320 3.739 -6.774 1.00 0.33 C ATOM 1094 CD LYS A 77 81.802 5.072 -7.325 1.00 0.98 C ATOM 1095 CE LYS A 77 82.538 5.428 -8.620 1.00 1.58 C ATOM 1096 NZ LYS A 77 81.882 6.683 -9.099 1.00 2.03 N ATOM 0 H LYS A 77 83.411 1.863 -6.380 1.00 0.30 H new ATOM 0 HA LYS A 77 80.862 0.919 -5.387 1.00 0.27 H new ATOM 0 HB2 LYS A 77 80.220 3.351 -6.414 1.00 0.28 H new ATOM 0 HB3 LYS A 77 81.215 3.261 -4.974 1.00 0.28 H new ATOM 0 HG2 LYS A 77 83.155 3.914 -6.096 1.00 0.33 H new ATOM 0 HG3 LYS A 77 82.695 3.118 -7.588 1.00 0.33 H new ATOM 0 HD2 LYS A 77 80.730 5.005 -7.513 1.00 0.98 H new ATOM 0 HD3 LYS A 77 81.947 5.861 -6.587 1.00 0.98 H new ATOM 0 HE2 LYS A 77 83.602 5.581 -8.441 1.00 1.58 H new ATOM 0 HE3 LYS A 77 82.451 4.630 -9.357 1.00 1.58 H new ATOM 0 HZ1 LYS A 77 82.330 6.993 -9.985 1.00 2.03 H new ATOM 0 HZ2 LYS A 77 80.871 6.504 -9.267 1.00 2.03 H new ATOM 0 HZ3 LYS A 77 81.987 7.426 -8.379 1.00 2.03 H new ATOM 1110 N VAL A 78 79.289 1.096 -7.374 1.00 0.22 N ATOM 1111 CA VAL A 78 78.423 0.924 -8.550 1.00 0.22 C ATOM 1112 C VAL A 78 77.322 1.970 -8.385 1.00 0.20 C ATOM 1113 O VAL A 78 76.316 1.750 -7.739 1.00 0.19 O ATOM 1114 CB VAL A 78 77.891 -0.523 -8.535 1.00 0.24 C ATOM 1115 CG1 VAL A 78 78.189 -1.170 -9.888 1.00 0.30 C ATOM 1116 CG2 VAL A 78 78.577 -1.362 -7.447 1.00 0.26 C ATOM 0 H VAL A 78 78.795 1.129 -6.482 1.00 0.22 H new ATOM 0 HA VAL A 78 78.921 1.067 -9.509 1.00 0.22 H new ATOM 0 HB VAL A 78 76.820 -0.489 -8.333 1.00 0.24 H new ATOM 0 HG11 VAL A 78 77.818 -2.195 -9.891 1.00 0.30 H new ATOM 0 HG12 VAL A 78 77.697 -0.603 -10.679 1.00 0.30 H new ATOM 0 HG13 VAL A 78 79.265 -1.174 -10.060 1.00 0.30 H new ATOM 0 HG21 VAL A 78 78.178 -2.376 -7.464 1.00 0.26 H new ATOM 0 HG22 VAL A 78 79.651 -1.391 -7.633 1.00 0.26 H new ATOM 0 HG23 VAL A 78 78.390 -0.915 -6.471 1.00 0.26 H new ATOM 1126 N ALA A 79 77.589 3.152 -8.871 1.00 0.23 N ATOM 1127 CA ALA A 79 76.658 4.298 -8.666 1.00 0.23 C ATOM 1128 C ALA A 79 75.174 4.008 -9.039 1.00 0.23 C ATOM 1129 O ALA A 79 74.350 3.825 -8.172 1.00 0.24 O ATOM 1130 CB ALA A 79 77.258 5.452 -9.485 1.00 0.28 C ATOM 0 H ALA A 79 78.426 3.375 -9.410 1.00 0.23 H new ATOM 0 HA ALA A 79 76.586 4.536 -7.605 1.00 0.23 H new ATOM 0 HB1 ALA A 79 76.627 6.335 -9.385 1.00 0.28 H new ATOM 0 HB2 ALA A 79 78.259 5.677 -9.117 1.00 0.28 H new ATOM 0 HB3 ALA A 79 77.314 5.163 -10.534 1.00 0.28 H new ATOM 1136 N PRO A 80 74.882 4.025 -10.311 1.00 0.24 N ATOM 1137 CA PRO A 80 73.482 3.824 -10.809 1.00 0.26 C ATOM 1138 C PRO A 80 72.975 2.391 -10.635 1.00 0.25 C ATOM 1139 O PRO A 80 73.018 1.596 -11.556 1.00 0.28 O ATOM 1140 CB PRO A 80 73.587 4.168 -12.285 1.00 0.30 C ATOM 1141 CG PRO A 80 75.023 3.936 -12.638 1.00 0.29 C ATOM 1142 CD PRO A 80 75.825 4.223 -11.396 1.00 0.25 C ATOM 0 HA PRO A 80 72.771 4.434 -10.252 1.00 0.26 H new ATOM 0 HB2 PRO A 80 72.927 3.540 -12.884 1.00 0.30 H new ATOM 0 HB3 PRO A 80 73.298 5.202 -12.470 1.00 0.30 H new ATOM 0 HG2 PRO A 80 75.179 2.910 -12.971 1.00 0.29 H new ATOM 0 HG3 PRO A 80 75.331 4.587 -13.456 1.00 0.29 H new ATOM 0 HD2 PRO A 80 76.679 3.551 -11.309 1.00 0.25 H new ATOM 0 HD3 PRO A 80 76.218 5.240 -11.402 1.00 0.25 H new ATOM 1150 N GLY A 81 72.479 2.062 -9.466 1.00 0.25 N ATOM 1151 CA GLY A 81 71.946 0.680 -9.216 1.00 0.27 C ATOM 1152 C GLY A 81 72.906 -0.384 -9.763 1.00 0.29 C ATOM 1153 O GLY A 81 72.500 -1.489 -10.064 1.00 0.34 O ATOM 0 H GLY A 81 72.419 2.694 -8.668 1.00 0.25 H new ATOM 0 HA2 GLY A 81 71.801 0.530 -8.146 1.00 0.27 H new ATOM 0 HA3 GLY A 81 70.969 0.572 -9.688 1.00 0.27 H new ATOM 1157 N ALA A 82 74.166 -0.044 -9.911 1.00 0.27 N ATOM 1158 CA ALA A 82 75.181 -1.010 -10.458 1.00 0.32 C ATOM 1159 C ALA A 82 74.926 -1.291 -11.952 1.00 0.38 C ATOM 1160 O ALA A 82 75.333 -2.308 -12.482 1.00 0.59 O ATOM 1161 CB ALA A 82 75.050 -2.290 -9.616 1.00 0.38 C ATOM 0 H ALA A 82 74.541 0.874 -9.673 1.00 0.27 H new ATOM 0 HA ALA A 82 76.190 -0.604 -10.395 1.00 0.32 H new ATOM 0 HB1 ALA A 82 75.766 -3.032 -9.969 1.00 0.38 H new ATOM 0 HB2 ALA A 82 75.252 -2.060 -8.570 1.00 0.38 H new ATOM 0 HB3 ALA A 82 74.039 -2.687 -9.712 1.00 0.38 H new ATOM 1167 N GLN A 83 74.270 -0.375 -12.619 1.00 0.37 N ATOM 1168 CA GLN A 83 73.964 -0.516 -14.086 1.00 0.43 C ATOM 1169 C GLN A 83 72.976 0.586 -14.484 1.00 0.37 C ATOM 1170 O GLN A 83 73.299 1.496 -15.223 1.00 0.40 O ATOM 1171 CB GLN A 83 73.326 -1.904 -14.259 1.00 0.52 C ATOM 1172 CG GLN A 83 74.178 -2.751 -15.215 1.00 0.95 C ATOM 1173 CD GLN A 83 73.367 -3.957 -15.699 1.00 1.34 C ATOM 1174 OE1 GLN A 83 73.316 -4.238 -16.876 1.00 2.03 O ATOM 1175 NE2 GLN A 83 72.727 -4.688 -14.835 1.00 1.82 N ATOM 0 H GLN A 83 73.923 0.488 -12.202 1.00 0.37 H new ATOM 0 HA GLN A 83 74.852 -0.423 -14.711 1.00 0.43 H new ATOM 0 HB2 GLN A 83 73.245 -2.401 -13.292 1.00 0.52 H new ATOM 0 HB3 GLN A 83 72.314 -1.803 -14.651 1.00 0.52 H new ATOM 0 HG2 GLN A 83 74.495 -2.148 -16.066 1.00 0.95 H new ATOM 0 HG3 GLN A 83 75.083 -3.088 -14.709 1.00 0.95 H new ATOM 0 HE21 GLN A 83 72.766 -4.456 -13.842 1.00 1.82 H new ATOM 0 HE22 GLN A 83 72.186 -5.493 -15.150 1.00 1.82 H new ATOM 1184 N LEU A 84 71.781 0.515 -13.965 1.00 0.33 N ATOM 1185 CA LEU A 84 70.756 1.545 -14.250 1.00 0.28 C ATOM 1186 C LEU A 84 70.321 2.187 -12.916 1.00 0.24 C ATOM 1187 O LEU A 84 70.134 1.509 -11.927 1.00 0.24 O ATOM 1188 CB LEU A 84 69.627 0.770 -14.957 1.00 0.30 C ATOM 1189 CG LEU A 84 68.640 0.146 -13.960 1.00 0.30 C ATOM 1190 CD1 LEU A 84 67.231 0.194 -14.544 1.00 0.55 C ATOM 1191 CD2 LEU A 84 69.013 -1.316 -13.700 1.00 0.52 C ATOM 0 H LEU A 84 71.471 -0.231 -13.343 1.00 0.33 H new ATOM 0 HA LEU A 84 71.095 2.368 -14.879 1.00 0.28 H new ATOM 0 HB2 LEU A 84 69.089 1.443 -15.625 1.00 0.30 H new ATOM 0 HB3 LEU A 84 70.060 -0.015 -15.577 1.00 0.30 H new ATOM 0 HG LEU A 84 68.680 0.706 -13.026 1.00 0.30 H new ATOM 0 HD11 LEU A 84 66.529 -0.249 -13.837 1.00 0.55 H new ATOM 0 HD12 LEU A 84 66.951 1.230 -14.733 1.00 0.55 H new ATOM 0 HD13 LEU A 84 67.206 -0.365 -15.479 1.00 0.55 H new ATOM 0 HD21 LEU A 84 68.308 -1.751 -12.992 1.00 0.52 H new ATOM 0 HD22 LEU A 84 68.977 -1.873 -14.636 1.00 0.52 H new ATOM 0 HD23 LEU A 84 70.020 -1.367 -13.287 1.00 0.52 H new ATOM 1203 N ARG A 85 70.199 3.487 -12.861 1.00 0.25 N ATOM 1204 CA ARG A 85 69.820 4.152 -11.567 1.00 0.23 C ATOM 1205 C ARG A 85 68.308 4.026 -11.265 1.00 0.22 C ATOM 1206 O ARG A 85 67.679 4.962 -10.800 1.00 0.31 O ATOM 1207 CB ARG A 85 70.227 5.624 -11.749 1.00 0.27 C ATOM 1208 CG ARG A 85 69.427 6.267 -12.892 1.00 0.38 C ATOM 1209 CD ARG A 85 69.209 7.753 -12.585 1.00 0.97 C ATOM 1210 NE ARG A 85 68.977 8.402 -13.913 1.00 1.36 N ATOM 1211 CZ ARG A 85 68.342 9.534 -13.990 1.00 2.07 C ATOM 1212 NH1 ARG A 85 68.920 10.628 -13.604 1.00 2.81 N ATOM 1213 NH2 ARG A 85 67.133 9.568 -14.456 1.00 2.67 N ATOM 0 H ARG A 85 70.343 4.119 -13.648 1.00 0.25 H new ATOM 0 HA ARG A 85 70.319 3.683 -10.719 1.00 0.23 H new ATOM 0 HB2 ARG A 85 70.054 6.172 -10.823 1.00 0.27 H new ATOM 0 HB3 ARG A 85 71.294 5.689 -11.963 1.00 0.27 H new ATOM 0 HG2 ARG A 85 69.962 6.153 -13.835 1.00 0.38 H new ATOM 0 HG3 ARG A 85 68.467 5.763 -13.008 1.00 0.38 H new ATOM 0 HD2 ARG A 85 68.355 7.896 -11.923 1.00 0.97 H new ATOM 0 HD3 ARG A 85 70.077 8.182 -12.084 1.00 0.97 H new ATOM 0 HE ARG A 85 69.319 7.954 -14.763 1.00 1.36 H new ATOM 0 HH11 ARG A 85 69.872 10.601 -13.240 1.00 2.81 H new ATOM 0 HH12 ARG A 85 68.422 11.516 -13.664 1.00 2.81 H new ATOM 0 HH21 ARG A 85 66.680 8.707 -14.762 1.00 2.67 H new ATOM 0 HH22 ARG A 85 66.635 10.456 -14.517 1.00 2.67 H new ATOM 1227 N SER A 86 67.724 2.875 -11.507 1.00 0.28 N ATOM 1228 CA SER A 86 66.263 2.694 -11.224 1.00 0.26 C ATOM 1229 C SER A 86 65.891 1.210 -11.215 1.00 0.28 C ATOM 1230 O SER A 86 65.399 0.681 -12.193 1.00 0.34 O ATOM 1231 CB SER A 86 65.537 3.431 -12.352 1.00 0.30 C ATOM 1232 OG SER A 86 64.517 4.252 -11.793 1.00 1.12 O ATOM 0 H SER A 86 68.195 2.054 -11.888 1.00 0.28 H new ATOM 0 HA SER A 86 65.989 3.086 -10.244 1.00 0.26 H new ATOM 0 HB2 SER A 86 66.242 4.040 -12.917 1.00 0.30 H new ATOM 0 HB3 SER A 86 65.103 2.715 -13.050 1.00 0.30 H new ATOM 0 HG SER A 86 64.050 4.728 -12.511 1.00 1.12 H new ATOM 1238 N LEU A 87 66.132 0.526 -10.119 1.00 0.25 N ATOM 1239 CA LEU A 87 65.790 -0.944 -10.078 1.00 0.28 C ATOM 1240 C LEU A 87 65.930 -1.556 -8.664 1.00 0.28 C ATOM 1241 O LEU A 87 66.325 -0.886 -7.742 1.00 0.40 O ATOM 1242 CB LEU A 87 66.821 -1.574 -11.020 1.00 0.29 C ATOM 1243 CG LEU A 87 68.149 -1.745 -10.265 1.00 0.34 C ATOM 1244 CD1 LEU A 87 68.644 -3.185 -10.393 1.00 0.86 C ATOM 1245 CD2 LEU A 87 69.197 -0.801 -10.835 1.00 0.80 C ATOM 0 H LEU A 87 66.542 0.907 -9.266 1.00 0.25 H new ATOM 0 HA LEU A 87 64.753 -1.119 -10.363 1.00 0.28 H new ATOM 0 HB2 LEU A 87 66.464 -2.540 -11.377 1.00 0.29 H new ATOM 0 HB3 LEU A 87 66.965 -0.943 -11.897 1.00 0.29 H new ATOM 0 HG LEU A 87 67.984 -1.512 -9.213 1.00 0.34 H new ATOM 0 HD11 LEU A 87 69.585 -3.295 -9.855 1.00 0.86 H new ATOM 0 HD12 LEU A 87 67.903 -3.863 -9.971 1.00 0.86 H new ATOM 0 HD13 LEU A 87 68.798 -3.425 -11.445 1.00 0.86 H new ATOM 0 HD21 LEU A 87 70.135 -0.929 -10.294 1.00 0.80 H new ATOM 0 HD22 LEU A 87 69.353 -1.025 -11.890 1.00 0.80 H new ATOM 0 HD23 LEU A 87 68.855 0.229 -10.730 1.00 0.80 H new ATOM 1257 N PRO A 88 65.627 -2.836 -8.551 1.00 0.32 N ATOM 1258 CA PRO A 88 65.751 -3.544 -7.240 1.00 0.32 C ATOM 1259 C PRO A 88 67.230 -3.727 -6.843 1.00 0.34 C ATOM 1260 O PRO A 88 67.981 -4.428 -7.499 1.00 0.69 O ATOM 1261 CB PRO A 88 65.092 -4.896 -7.501 1.00 0.41 C ATOM 1262 CG PRO A 88 65.199 -5.101 -8.976 1.00 0.50 C ATOM 1263 CD PRO A 88 65.141 -3.737 -9.609 1.00 0.53 C ATOM 0 HA PRO A 88 65.290 -2.993 -6.420 1.00 0.32 H new ATOM 0 HB2 PRO A 88 65.596 -5.693 -6.954 1.00 0.41 H new ATOM 0 HB3 PRO A 88 64.051 -4.897 -7.177 1.00 0.41 H new ATOM 0 HG2 PRO A 88 66.131 -5.606 -9.230 1.00 0.50 H new ATOM 0 HG3 PRO A 88 64.387 -5.731 -9.339 1.00 0.50 H new ATOM 0 HD2 PRO A 88 65.767 -3.683 -10.499 1.00 0.53 H new ATOM 0 HD3 PRO A 88 64.127 -3.482 -9.917 1.00 0.53 H new ATOM 1271 N SER A 89 67.651 -3.089 -5.779 1.00 0.22 N ATOM 1272 CA SER A 89 69.078 -3.195 -5.333 1.00 0.21 C ATOM 1273 C SER A 89 69.338 -4.401 -4.400 1.00 0.20 C ATOM 1274 O SER A 89 68.570 -4.673 -3.483 1.00 0.22 O ATOM 1275 CB SER A 89 69.357 -1.891 -4.603 1.00 0.30 C ATOM 1276 OG SER A 89 70.544 -1.318 -5.132 1.00 1.05 O ATOM 0 H SER A 89 67.064 -2.494 -5.195 1.00 0.22 H new ATOM 0 HA SER A 89 69.732 -3.357 -6.189 1.00 0.21 H new ATOM 0 HB2 SER A 89 68.519 -1.204 -4.723 1.00 0.30 H new ATOM 0 HB3 SER A 89 69.469 -2.073 -3.534 1.00 0.30 H new ATOM 0 HG SER A 89 70.819 -0.561 -4.574 1.00 1.05 H new ATOM 1282 N PRO A 90 70.437 -5.084 -4.687 1.00 0.21 N ATOM 1283 CA PRO A 90 70.888 -6.283 -3.922 1.00 0.22 C ATOM 1284 C PRO A 90 72.012 -5.952 -2.909 1.00 0.26 C ATOM 1285 O PRO A 90 72.184 -4.822 -2.493 1.00 0.32 O ATOM 1286 CB PRO A 90 71.453 -7.155 -5.048 1.00 0.28 C ATOM 1287 CG PRO A 90 71.873 -6.194 -6.138 1.00 0.31 C ATOM 1288 CD PRO A 90 71.367 -4.820 -5.777 1.00 0.25 C ATOM 0 HA PRO A 90 70.093 -6.733 -3.327 1.00 0.22 H new ATOM 0 HB2 PRO A 90 72.300 -7.745 -4.699 1.00 0.28 H new ATOM 0 HB3 PRO A 90 70.704 -7.858 -5.413 1.00 0.28 H new ATOM 0 HG2 PRO A 90 72.958 -6.185 -6.239 1.00 0.31 H new ATOM 0 HG3 PRO A 90 71.466 -6.508 -7.099 1.00 0.31 H new ATOM 0 HD2 PRO A 90 72.177 -4.162 -5.464 1.00 0.25 H new ATOM 0 HD3 PRO A 90 70.873 -4.338 -6.621 1.00 0.25 H new ATOM 1296 N GLY A 91 72.779 -6.957 -2.524 1.00 0.29 N ATOM 1297 CA GLY A 91 73.906 -6.759 -1.551 1.00 0.38 C ATOM 1298 C GLY A 91 74.369 -8.130 -1.023 1.00 0.65 C ATOM 1299 O GLY A 91 75.168 -8.802 -1.644 1.00 1.49 O ATOM 0 H GLY A 91 72.667 -7.917 -2.850 1.00 0.29 H new ATOM 0 HA2 GLY A 91 74.735 -6.245 -2.037 1.00 0.38 H new ATOM 0 HA3 GLY A 91 73.581 -6.129 -0.723 1.00 0.38 H new ATOM 1303 N ALA A 92 73.845 -8.533 0.116 1.00 0.39 N ATOM 1304 CA ALA A 92 74.186 -9.870 0.747 1.00 0.48 C ATOM 1305 C ALA A 92 75.556 -9.857 1.462 1.00 0.50 C ATOM 1306 O ALA A 92 76.594 -9.984 0.842 1.00 1.04 O ATOM 1307 CB ALA A 92 74.179 -10.893 -0.397 1.00 0.63 C ATOM 0 H ALA A 92 73.177 -7.981 0.653 1.00 0.39 H new ATOM 0 HA ALA A 92 73.459 -10.117 1.520 1.00 0.48 H new ATOM 0 HB1 ALA A 92 74.419 -11.881 -0.003 1.00 0.63 H new ATOM 0 HB2 ALA A 92 73.192 -10.916 -0.858 1.00 0.63 H new ATOM 0 HB3 ALA A 92 74.921 -10.610 -1.143 1.00 0.63 H new ATOM 1313 N THR A 93 75.549 -9.721 2.778 1.00 0.46 N ATOM 1314 CA THR A 93 76.831 -9.712 3.590 1.00 0.42 C ATOM 1315 C THR A 93 77.853 -8.712 3.030 1.00 0.37 C ATOM 1316 O THR A 93 79.052 -8.767 3.310 1.00 0.37 O ATOM 1317 CB THR A 93 77.368 -11.147 3.510 1.00 0.46 C ATOM 1318 OG1 THR A 93 76.323 -12.060 3.820 1.00 1.42 O ATOM 1319 CG2 THR A 93 78.519 -11.334 4.506 1.00 1.38 C ATOM 0 H THR A 93 74.700 -9.614 3.333 1.00 0.46 H new ATOM 0 HA THR A 93 76.647 -9.399 4.618 1.00 0.42 H new ATOM 0 HB THR A 93 77.735 -11.335 2.501 1.00 0.46 H new ATOM 0 HG1 THR A 93 76.664 -12.977 3.768 1.00 1.42 H new ATOM 0 HG21 THR A 93 78.893 -12.356 4.442 1.00 1.38 H new ATOM 0 HG22 THR A 93 79.323 -10.637 4.268 1.00 1.38 H new ATOM 0 HG23 THR A 93 78.160 -11.142 5.517 1.00 1.38 H new ATOM 1327 N VAL A 94 77.387 -7.782 2.268 1.00 0.43 N ATOM 1328 CA VAL A 94 78.298 -6.775 1.699 1.00 0.48 C ATOM 1329 C VAL A 94 78.046 -5.432 2.353 1.00 0.44 C ATOM 1330 O VAL A 94 76.926 -5.035 2.632 1.00 0.43 O ATOM 1331 CB VAL A 94 77.984 -6.725 0.199 1.00 0.55 C ATOM 1332 CG1 VAL A 94 76.537 -6.282 -0.020 1.00 1.58 C ATOM 1333 CG2 VAL A 94 78.922 -5.727 -0.486 1.00 1.16 C ATOM 0 H VAL A 94 76.405 -7.675 2.012 1.00 0.43 H new ATOM 0 HA VAL A 94 79.346 -7.024 1.868 1.00 0.48 H new ATOM 0 HB VAL A 94 78.125 -7.719 -0.225 1.00 0.55 H new ATOM 0 HG11 VAL A 94 76.324 -6.250 -1.089 1.00 1.58 H new ATOM 0 HG12 VAL A 94 75.863 -6.989 0.463 1.00 1.58 H new ATOM 0 HG13 VAL A 94 76.391 -5.291 0.409 1.00 1.58 H new ATOM 0 HG21 VAL A 94 78.699 -5.691 -1.552 1.00 1.16 H new ATOM 0 HG22 VAL A 94 78.780 -4.737 -0.052 1.00 1.16 H new ATOM 0 HG23 VAL A 94 79.956 -6.041 -0.342 1.00 1.16 H new ATOM 1343 N THR A 95 79.073 -4.713 2.581 1.00 0.49 N ATOM 1344 CA THR A 95 78.889 -3.382 3.179 1.00 0.51 C ATOM 1345 C THR A 95 78.618 -2.412 2.048 1.00 0.45 C ATOM 1346 O THR A 95 78.906 -2.709 0.899 1.00 0.52 O ATOM 1347 CB THR A 95 80.208 -3.093 3.848 1.00 0.70 C ATOM 1348 OG1 THR A 95 80.090 -1.956 4.690 1.00 1.14 O ATOM 1349 CG2 THR A 95 81.224 -2.848 2.751 1.00 1.64 C ATOM 0 H THR A 95 80.037 -4.980 2.383 1.00 0.49 H new ATOM 0 HA THR A 95 78.066 -3.309 3.890 1.00 0.51 H new ATOM 0 HB THR A 95 80.521 -3.930 4.472 1.00 0.70 H new ATOM 0 HG1 THR A 95 79.257 -1.483 4.486 1.00 1.14 H new ATOM 0 HG21 THR A 95 82.196 -2.634 3.196 1.00 1.64 H new ATOM 0 HG22 THR A 95 81.300 -3.734 2.121 1.00 1.64 H new ATOM 0 HG23 THR A 95 80.908 -1.999 2.145 1.00 1.64 H new ATOM 1357 N VAL A 96 78.065 -1.271 2.323 1.00 0.42 N ATOM 1358 CA VAL A 96 77.785 -0.357 1.199 1.00 0.46 C ATOM 1359 C VAL A 96 77.629 1.078 1.674 1.00 0.43 C ATOM 1360 O VAL A 96 76.898 1.374 2.604 1.00 0.42 O ATOM 1361 CB VAL A 96 76.480 -0.925 0.601 1.00 0.48 C ATOM 1362 CG1 VAL A 96 75.407 0.159 0.431 1.00 0.55 C ATOM 1363 CG2 VAL A 96 76.768 -1.537 -0.770 1.00 0.72 C ATOM 0 H VAL A 96 77.802 -0.940 3.251 1.00 0.42 H new ATOM 0 HA VAL A 96 78.592 -0.311 0.468 1.00 0.46 H new ATOM 0 HB VAL A 96 76.106 -1.678 1.294 1.00 0.48 H new ATOM 0 HG11 VAL A 96 74.506 -0.284 0.007 1.00 0.55 H new ATOM 0 HG12 VAL A 96 75.174 0.596 1.402 1.00 0.55 H new ATOM 0 HG13 VAL A 96 75.778 0.936 -0.237 1.00 0.55 H new ATOM 0 HG21 VAL A 96 75.846 -1.938 -1.191 1.00 0.72 H new ATOM 0 HG22 VAL A 96 77.167 -0.770 -1.434 1.00 0.72 H new ATOM 0 HG23 VAL A 96 77.497 -2.340 -0.664 1.00 0.72 H new ATOM 1373 N GLY A 97 78.290 1.970 1.003 1.00 0.46 N ATOM 1374 CA GLY A 97 78.156 3.401 1.337 1.00 0.48 C ATOM 1375 C GLY A 97 76.998 3.895 0.487 1.00 0.37 C ATOM 1376 O GLY A 97 77.194 4.520 -0.532 1.00 0.41 O ATOM 0 H GLY A 97 78.923 1.764 0.230 1.00 0.46 H new ATOM 0 HA2 GLY A 97 77.954 3.541 2.399 1.00 0.48 H new ATOM 0 HA3 GLY A 97 79.072 3.947 1.112 1.00 0.48 H new ATOM 1380 N GLN A 98 75.792 3.576 0.888 1.00 0.32 N ATOM 1381 CA GLN A 98 74.605 3.986 0.079 1.00 0.26 C ATOM 1382 C GLN A 98 74.427 5.477 0.040 1.00 0.22 C ATOM 1383 O GLN A 98 74.070 6.084 1.036 1.00 0.24 O ATOM 1384 CB GLN A 98 73.369 3.505 0.791 1.00 0.24 C ATOM 1385 CG GLN A 98 72.587 2.449 -0.012 1.00 0.52 C ATOM 1386 CD GLN A 98 73.121 2.366 -1.433 1.00 1.48 C ATOM 1387 OE1 GLN A 98 73.552 1.323 -1.869 1.00 2.44 O ATOM 1388 NE2 GLN A 98 73.116 3.435 -2.173 1.00 1.47 N ATOM 0 H GLN A 98 75.580 3.052 1.737 1.00 0.32 H new ATOM 0 HA GLN A 98 74.752 3.582 -0.923 1.00 0.26 H new ATOM 0 HB2 GLN A 98 73.652 3.084 1.756 1.00 0.24 H new ATOM 0 HB3 GLN A 98 72.718 4.356 0.993 1.00 0.24 H new ATOM 0 HG2 GLN A 98 72.672 1.477 0.473 1.00 0.52 H new ATOM 0 HG3 GLN A 98 71.528 2.706 -0.029 1.00 0.52 H new ATOM 0 HE21 GLN A 98 72.751 4.312 -1.800 1.00 1.47 H new ATOM 0 HE22 GLN A 98 73.477 3.397 -3.126 1.00 1.47 H new ATOM 1397 N ASP A 99 74.589 6.080 -1.073 1.00 0.20 N ATOM 1398 CA ASP A 99 74.365 7.526 -1.079 1.00 0.19 C ATOM 1399 C ASP A 99 73.246 7.913 -2.042 1.00 0.19 C ATOM 1400 O ASP A 99 73.221 7.559 -3.207 1.00 0.22 O ATOM 1401 CB ASP A 99 75.732 8.064 -1.402 1.00 0.22 C ATOM 1402 CG ASP A 99 75.684 9.381 -2.194 1.00 0.26 C ATOM 1403 OD1 ASP A 99 75.340 9.351 -3.367 1.00 1.14 O ATOM 1404 OD2 ASP A 99 76.017 10.395 -1.616 1.00 1.04 O ATOM 0 H ASP A 99 74.859 5.654 -1.959 1.00 0.20 H new ATOM 0 HA ASP A 99 73.999 7.946 -0.142 1.00 0.19 H new ATOM 0 HB2 ASP A 99 76.283 8.223 -0.475 1.00 0.22 H new ATOM 0 HB3 ASP A 99 76.283 7.320 -1.977 1.00 0.22 H new ATOM 1409 N LEU A 100 72.303 8.614 -1.499 1.00 0.19 N ATOM 1410 CA LEU A 100 71.090 9.053 -2.274 1.00 0.22 C ATOM 1411 C LEU A 100 70.996 10.578 -2.293 1.00 0.23 C ATOM 1412 O LEU A 100 69.971 11.159 -1.982 1.00 0.25 O ATOM 1413 CB LEU A 100 69.947 8.432 -1.487 1.00 0.24 C ATOM 1414 CG LEU A 100 69.030 7.639 -2.410 1.00 0.29 C ATOM 1415 CD1 LEU A 100 69.737 6.354 -2.809 1.00 0.37 C ATOM 1416 CD2 LEU A 100 67.749 7.275 -1.666 1.00 0.27 C ATOM 0 H LEU A 100 72.310 8.916 -0.525 1.00 0.19 H new ATOM 0 HA LEU A 100 71.097 8.748 -3.320 1.00 0.22 H new ATOM 0 HB2 LEU A 100 70.345 7.778 -0.711 1.00 0.24 H new ATOM 0 HB3 LEU A 100 69.378 9.214 -0.984 1.00 0.24 H new ATOM 0 HG LEU A 100 68.789 8.236 -3.290 1.00 0.29 H new ATOM 0 HD11 LEU A 100 69.093 5.775 -3.470 1.00 0.37 H new ATOM 0 HD12 LEU A 100 70.666 6.595 -3.327 1.00 0.37 H new ATOM 0 HD13 LEU A 100 69.960 5.769 -1.917 1.00 0.37 H new ATOM 0 HD21 LEU A 100 67.093 6.708 -2.327 1.00 0.27 H new ATOM 0 HD22 LEU A 100 67.995 6.671 -0.792 1.00 0.27 H new ATOM 0 HD23 LEU A 100 67.242 8.186 -1.347 1.00 0.27 H new ATOM 1428 N GLY A 101 72.070 11.229 -2.642 1.00 0.25 N ATOM 1429 CA GLY A 101 72.071 12.717 -2.661 1.00 0.28 C ATOM 1430 C GLY A 101 72.883 13.218 -1.468 1.00 0.25 C ATOM 1431 O GLY A 101 73.528 14.245 -1.549 1.00 0.29 O ATOM 0 H GLY A 101 72.950 10.792 -2.916 1.00 0.25 H new ATOM 0 HA2 GLY A 101 72.502 13.083 -3.593 1.00 0.28 H new ATOM 0 HA3 GLY A 101 71.051 13.097 -2.611 1.00 0.28 H new ATOM 1435 N ASP A 102 72.859 12.479 -0.373 1.00 0.22 N ATOM 1436 CA ASP A 102 73.635 12.877 0.851 1.00 0.23 C ATOM 1437 C ASP A 102 73.436 14.379 1.170 1.00 0.29 C ATOM 1438 O ASP A 102 74.402 15.132 1.110 1.00 1.15 O ATOM 1439 CB ASP A 102 75.092 12.550 0.488 1.00 0.26 C ATOM 1440 CG ASP A 102 75.940 12.300 1.746 1.00 0.35 C ATOM 1441 OD1 ASP A 102 75.635 12.865 2.783 1.00 1.09 O ATOM 1442 OD2 ASP A 102 76.891 11.540 1.645 1.00 1.19 O ATOM 1443 OXT ASP A 102 72.313 14.751 1.475 1.00 1.03 O ATOM 0 H ASP A 102 72.330 11.612 -0.278 1.00 0.22 H new ATOM 0 HA ASP A 102 73.312 12.353 1.750 1.00 0.23 H new ATOM 0 HB2 ASP A 102 75.120 11.669 -0.153 1.00 0.26 H new ATOM 0 HB3 ASP A 102 75.520 13.374 -0.084 1.00 0.26 H new TER 1448 ASP A 102 CONECT 43 114 CONECT 114 43 CONECT 893 977 CONECT 977 893 END